N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C19H24N4OS — CID 51121155

IUPACN-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCC1CCC(N(C(=O)c2csc(-c3ncccn3)n2)C2CC2)CC1
InChIInChI=1S/C19H24N4OS/c1-2-13-4-6-14(7-5-13)23(15-8-9-15)19(24)16-12-25-18(22-16)17-20-10-3-11-21-17/h3,10-15H,2,4-9H2,1H3
InChIKeyODLWIZKSWILHGC-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.17
Rot. Bonds5

About N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 51121155) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID51121155
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCC1CCC(N(C(=O)c2csc(-c3ncccn3)n2)C2CC2)CC1
InChIInChI=1S/C19H24N4OS/c1-2-13-4-6-14(7-5-13)23(15-8-9-15)19(24)16-12-25-18(22-16)17-20-10-3-11-21-17/h3,10-15H,2,4-9H2,1H3
InChIKeyODLWIZKSWILHGC-UHFFFAOYSA-N
XLogP4.17
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 51121155) is N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is CCC1CCC(N(C(=O)c2csc(-c3ncccn3)n2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ODLWIZKSWILHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-2-13-4-6-14(7-5-13)23(15-8-9-15)19(24)16-12-25-18(22-16)17-20-10-3-11-21-17/h3,10-15H,2,4-9H2,1H3.
What are the key properties of N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51121155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).