1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea

C19H18N6OS2 — CID 25138108

IUPAC1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
SMILESCN(C(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1)c1ccccc1
InChIInChI=1S/C19H18N6OS2/c1-25(13-5-3-2-4-6-13)19(26)24-18-21-11-14(28-18)7-9-20-17-16-15(8-10-27-16)22-12-23-17/h2-6,8,10-12H,7,9H2,1H3,(H,20,22,23)(H,21,24,26)
InChIKeyXEDTWCUYGFCJCQ-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.47
Rot. Bonds6

About 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea

1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea (PubChem CID 25138108) has the molecular formula C19H18N6OS2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
PubChem CID25138108
Molecular FormulaC19H18N6OS2
Molecular Weight410.53 g/mol
Exact Mass410.10
IUPAC Name1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
SMILESCN(C(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1)c1ccccc1
InChIInChI=1S/C19H18N6OS2/c1-25(13-5-3-2-4-6-13)19(26)24-18-21-11-14(28-18)7-9-20-17-16-15(8-10-27-16)22-12-23-17/h2-6,8,10-12H,7,9H2,1H3,(H,20,22,23)(H,21,24,26)
InChIKeyXEDTWCUYGFCJCQ-UHFFFAOYSA-N
XLogP4.47
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Sns-314
CID 24995524
N-[trans-3-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)cyclobutyl]-1,3-Benzothiazol-2-Amine
CID 71680558
1-{5-[2-(Thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
CID 24880024
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
1-Phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138107
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109
1-(3-Ethynylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138111
1-(3-Fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138112
1-(4-Chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138113
1-(2-Chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138114
1-(3,4-Dichlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138115

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea (CID 25138108) is 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea is CN(C(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1)c1ccccc1.
What is the InChIKey of 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is XEDTWCUYGFCJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS2/c1-25(13-5-3-2-4-6-13)19(26)24-18-21-11-14(28-18)7-9-20-17-16-15(8-10-27-16)22-12-23-17/h2-6,8,10-12H,7,9H2,1H3,(H,20,22,23)(H,21,24,26).
What are the key properties of 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea?
1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 410.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenyl-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 25138108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).