1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine

C31H23N13S3 — CID 90891605

IUPAC1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
SMILESCc1csc(N(c2ncc(-c3cncnc3)c3sc(C)nc23)N(c2ccnc(C)n2)c2ncc(-c3cncnc3)c3sc(C)nc23)n1
InChIInChI=1S/C31H23N13S3/c1-16-13-45-31(39-16)44(30-26-28(47-19(4)42-26)23(12-38-30)21-9-34-15-35-10-21)43(24-5-6-36-17(2)40-24)29-25-27(46-18(3)41-25)22(11-37-29)20-7-32-14-33-8-20/h5-15H,1-4H3
InChIKeyKOXUBHKWMZSSKN-UHFFFAOYSA-N
MW673.82 g/mol
LogP6.98
Rot. Bonds7

About 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine

1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine (PubChem CID 90891605) has the molecular formula C31H23N13S3 and a molecular weight of 673.82 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
PubChem CID90891605
Molecular FormulaC31H23N13S3
Molecular Weight673.82 g/mol
Exact Mass673.14
IUPAC Name1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
SMILESCc1csc(N(c2ncc(-c3cncnc3)c3sc(C)nc23)N(c2ccnc(C)n2)c2ncc(-c3cncnc3)c3sc(C)nc23)n1
InChIInChI=1S/C31H23N13S3/c1-16-13-45-31(39-16)44(30-26-28(47-19(4)42-26)23(12-38-30)21-9-34-15-35-10-21)43(24-5-6-36-17(2)40-24)29-25-27(46-18(3)41-25)22(11-37-29)20-7-32-14-33-8-20/h5-15H,1-4H3
InChIKeyKOXUBHKWMZSSKN-UHFFFAOYSA-N
XLogP6.98
TPSA148.27 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

TH1020
CID 124203921
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
5-Propylsulfanyl-7-pyridin-2-ylsulfanyl-3-(2-thiophen-2-ylethyl)triazolo[4,5-d]pyrimidine
CID 137631867
3-Benzyl-5-benzylsulfanyl-7-pyridin-2-ylsulfanyltriazolo[4,5-d]pyrimidine
CID 137644037
3-Benzyl-5-propylsulfanyl-7-pyridin-2-ylsulfanyltriazolo[4,5-d]pyrimidine
CID 137645063
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
CID 162659437
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
N-(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)-4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine
CID 58299573
11,13-Dimethyl-6-piperazin-1-yl-4-pyridin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 89596243
(S)-3-Phenyl-N*1*-(2-pyridin-4-yl-7-[1,2,3]triazol-1-yl-thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
CID 89596271

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine (CID 90891605) is 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine is Cc1csc(N(c2ncc(-c3cncnc3)c3sc(C)nc23)N(c2ccnc(C)n2)c2ncc(-c3cncnc3)c3sc(C)nc23)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
The InChIKey is KOXUBHKWMZSSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N13S3/c1-16-13-45-31(39-16)44(30-26-28(47-19(4)42-26)23(12-38-30)21-9-34-15-35-10-21)43(24-5-6-36-17(2)40-24)29-25-27(46-18(3)41-25)22(11-37-29)20-7-32-14-33-8-20/h5-15H,1-4H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine has a molecular weight of 673.82 g/mol, XLogP of 6.98, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine is sourced from PubChem (CID 90891605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).