2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole

C18H17N5S2 — CID 56710891

IUPAC2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole
SMILESc1cc(CN2CCc3[nH]cnc3C2c2ccsc2)n(-c2nccs2)c1
InChIInChI=1S/C18H17N5S2/c1-2-14(23(6-1)18-19-5-9-25-18)10-22-7-3-15-16(21-12-20-15)17(22)13-4-8-24-11-13/h1-2,4-6,8-9,11-12,17H,3,7,10H2,(H,20,21)
InChIKeyMUMDJDFRRCLMGU-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.87
Rot. Bonds4

About 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole

2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole (PubChem CID 56710891) has the molecular formula C18H17N5S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole
PubChem CID56710891
Molecular FormulaC18H17N5S2
Molecular Weight367.50 g/mol
Exact Mass367.09
IUPAC Name2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole
SMILESc1cc(CN2CCc3[nH]cnc3C2c2ccsc2)n(-c2nccs2)c1
InChIInChI=1S/C18H17N5S2/c1-2-14(23(6-1)18-19-5-9-25-18)10-22-7-3-15-16(21-12-20-15)17(22)13-4-8-24-11-13/h1-2,4-6,8-9,11-12,17H,3,7,10H2,(H,20,21)
InChIKeyMUMDJDFRRCLMGU-UHFFFAOYSA-N
XLogP3.87
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole with MolForge

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Related Compounds

2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
Imidazopyridine 10e
CID 5329344
Ikk-IN-3
CID 10215156
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
Dimethyl[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]amine
CID 20823982
N-ethyl-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-amine
CID 20824060
N-(2-aminoethyl)-12-methyl-4-(1H-pyrrol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093430
N-(2-aminoethyl)-12-methyl-4-(pyridin-3-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093433
N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093434
4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093443

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole (CID 56710891) is 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole is c1cc(CN2CCc3[nH]cnc3C2c2ccsc2)n(-c2nccs2)c1.
What is the InChIKey of 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole?
The InChIKey is MUMDJDFRRCLMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S2/c1-2-14(23(6-1)18-19-5-9-25-18)10-22-7-3-15-16(21-12-20-15)17(22)13-4-8-24-11-13/h1-2,4-6,8-9,11-12,17H,3,7,10H2,(H,20,21).
What are the key properties of 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole?
2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole has a molecular weight of 367.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrrol-1-yl]-1,3-thiazole is sourced from PubChem (CID 56710891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).