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

C15H18N6OS — CID 18192334

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc(NC(=O)CCc2c(C)nc3ncnn3c2C)sc1C
InChIInChI=1S/C15H18N6OS/c1-8-11(4)23-15(19-8)20-13(22)6-5-12-9(2)18-14-16-7-17-21(14)10(12)3/h7H,5-6H2,1-4H3,(H,19,20,22)
InChIKeyRAPYVRAKOGMPCR-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.39
Rot. Bonds4

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 18192334) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-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-dimethyl-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID18192334
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc(NC(=O)CCc2c(C)nc3ncnn3c2C)sc1C
InChIInChI=1S/C15H18N6OS/c1-8-11(4)23-15(19-8)20-13(22)6-5-12-9(2)18-14-16-7-17-21(14)10(12)3/h7H,5-6H2,1-4H3,(H,19,20,22)
InChIKeyRAPYVRAKOGMPCR-UHFFFAOYSA-N
XLogP2.39
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-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-dimethyl-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 18192334) is N-(4,5-dimethyl-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-dimethyl-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-dimethyl-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc(NC(=O)CCc2c(C)nc3ncnn3c2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is RAPYVRAKOGMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-8-11(4)23-15(19-8)20-13(22)6-5-12-9(2)18-14-16-7-17-21(14)10(12)3/h7H,5-6H2,1-4H3,(H,19,20,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(4,5-dimethyl-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 330.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-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 18192334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).