N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide

C14H16N4OS — CID 47329627

IUPACN-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(CC1CC1)C(=O)Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H16N4OS/c1-18(8-10-3-4-10)12(19)7-11-9-20-14(17-11)13-15-5-2-6-16-13/h2,5-6,9-10H,3-4,7-8H2,1H3
InChIKeySQODFZAVTLIGBV-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.01
Rot. Bonds5

About N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide

N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 47329627) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID47329627
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(CC1CC1)C(=O)Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H16N4OS/c1-18(8-10-3-4-10)12(19)7-11-9-20-14(17-11)13-15-5-2-6-16-13/h2,5-6,9-10H,3-4,7-8H2,1H3
InChIKeySQODFZAVTLIGBV-UHFFFAOYSA-N
XLogP2.01
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide (CID 47329627) is N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide is CN(CC1CC1)C(=O)Cc1csc(-c2ncccn2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is SQODFZAVTLIGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-18(8-10-3-4-10)12(19)7-11-9-20-14(17-11)13-15-5-2-6-16-13/h2,5-6,9-10H,3-4,7-8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 288.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47329627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).