N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C15H18N4OS — CID 75395371

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ccnc(C(NC(=O)c2sc(C)nc2C)C2CC2)n1
InChIInChI=1S/C15H18N4OS/c1-8-6-7-16-14(17-8)12(11-4-5-11)19-15(20)13-9(2)18-10(3)21-13/h6-7,11-12H,4-5H2,1-3H3,(H,19,20)
InChIKeyTZZIRYYTCREASW-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.74
Rot. Bonds4

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 75395371) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID75395371
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ccnc(C(NC(=O)c2sc(C)nc2C)C2CC2)n1
InChIInChI=1S/C15H18N4OS/c1-8-6-7-16-14(17-8)12(11-4-5-11)19-15(20)13-9(2)18-10(3)21-13/h6-7,11-12H,4-5H2,1-3H3,(H,19,20)
InChIKeyTZZIRYYTCREASW-UHFFFAOYSA-N
XLogP2.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 75395371) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ccnc(C(NC(=O)c2sc(C)nc2C)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is TZZIRYYTCREASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-8-6-7-16-14(17-8)12(11-4-5-11)19-15(20)13-9(2)18-10(3)21-13/h6-7,11-12H,4-5H2,1-3H3,(H,19,20).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75395371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).