4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H18N4S — CID 62721784

IUPAC4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC(C)c1nc(C2NCCc3sccc32)n(C)n1
InChIInChI=1S/C13H18N4S/c1-8(2)12-15-13(17(3)16-12)11-9-5-7-18-10(9)4-6-14-11/h5,7-8,11,14H,4,6H2,1-3H3
InChIKeyNVWGKAUGPLXMSI-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.24
Rot. Bonds2

About 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 62721784) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID62721784
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC(C)c1nc(C2NCCc3sccc32)n(C)n1
InChIInChI=1S/C13H18N4S/c1-8(2)12-15-13(17(3)16-12)11-9-5-7-18-10(9)4-6-14-11/h5,7-8,11,14H,4,6H2,1-3H3
InChIKeyNVWGKAUGPLXMSI-UHFFFAOYSA-N
XLogP2.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine with MolForge

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Related Compounds

4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 62722912
(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7130977
4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165477878
4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 115472705
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62720718
4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165470258
3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 116807334
5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632061
(4S)-4-(4-nitrophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7062069
7-bromo-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,3-benzoxazole
CID 81496252
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 62797030
4-(2-methoxypropan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 130983385

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 62721784) is 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CC(C)c1nc(C2NCCc3sccc32)n(C)n1.
What is the InChIKey of 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is NVWGKAUGPLXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8(2)12-15-13(17(3)16-12)11-9-5-7-18-10(9)4-6-14-11/h5,7-8,11,14H,4,6H2,1-3H3.
What are the key properties of 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 262.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 62721784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).