N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C17H15ClN6OS2 — CID 39754238

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C17H15ClN6OS2/c1-9-11(10(2)24-16(21-9)19-8-20-24)3-6-15(25)23-17-22-12(7-26-17)13-4-5-14(18)27-13/h4-5,7-8H,3,6H2,1-2H3,(H,22,23,25)
InChIKeyGNVLUQFPDUDXOR-UHFFFAOYSA-N
MW418.94 g/mol
LogP4.15
Rot. Bonds5

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 39754238) has the molecular formula C17H15ClN6OS2 and a molecular weight of 418.94 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID39754238
Molecular FormulaC17H15ClN6OS2
Molecular Weight418.94 g/mol
Exact Mass418.04
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C17H15ClN6OS2/c1-9-11(10(2)24-16(21-9)19-8-20-24)3-6-15(25)23-17-22-12(7-26-17)13-4-5-14(18)27-13/h4-5,7-8H,3,6H2,1-2H3,(H,22,23,25)
InChIKeyGNVLUQFPDUDXOR-UHFFFAOYSA-N
XLogP4.15
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.94
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide with MolForge

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Related Compounds

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CID 17492513
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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 39754238) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is GNVLUQFPDUDXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6OS2/c1-9-11(10(2)24-16(21-9)19-8-20-24)3-6-15(25)23-17-22-12(7-26-17)13-4-5-14(18)27-13/h4-5,7-8H,3,6H2,1-2H3,(H,22,23,25).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 418.94 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 39754238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).