1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea

C17H20N6OS — CID 97444890

IUPAC1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
SMILESCc1nc2c(NC(=O)N[C@H](C)c3nc4c(s3)CCCC4)cccn2n1
InChIInChI=1S/C17H20N6OS/c1-10(16-20-12-6-3-4-8-14(12)25-16)18-17(24)21-13-7-5-9-23-15(13)19-11(2)22-23/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,18,21,24)/t10-/m1/s1
InChIKeyKLAMABGZQRAACU-SNVBAGLBSA-N
MW356.46 g/mol
LogP3.26
Rot. Bonds3

About 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea

1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea (PubChem CID 97444890) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
PubChem CID97444890
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
SMILESCc1nc2c(NC(=O)N[C@H](C)c3nc4c(s3)CCCC4)cccn2n1
InChIInChI=1S/C17H20N6OS/c1-10(16-20-12-6-3-4-8-14(12)25-16)18-17(24)21-13-7-5-9-23-15(13)19-11(2)22-23/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,18,21,24)/t10-/m1/s1
InChIKeyKLAMABGZQRAACU-SNVBAGLBSA-N
XLogP3.26
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 118764908
1-(1,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 125177927
1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 126424571
4-oxo-4-phenyl-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butanamide
CID 95318866
4-oxo-4-phenyl-N-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butanamide
CID 95318867
N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-2-(triazol-1-yl)acetamide
CID 118785667
2-methyl-N-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 95122186
5-methyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 122570604
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]prop-2-enamide
CID 139016663
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 131895180
3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 125441381
3-methyl-2-nitro-N-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 95619771

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea (CID 97444890) is 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea is Cc1nc2c(NC(=O)N[C@H](C)c3nc4c(s3)CCCC4)cccn2n1.
What is the InChIKey of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea?
The InChIKey is KLAMABGZQRAACU-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-10(16-20-12-6-3-4-8-14(12)25-16)18-17(24)21-13-7-5-9-23-15(13)19-11(2)22-23/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,18,21,24)/t10-/m1/s1.
What are the key properties of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea?
1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea has a molecular weight of 356.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-[(1R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea is sourced from PubChem (CID 97444890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).