N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C18H24N4OS — CID 59579929

IUPACN-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCC1CCCCCC1
InChIInChI=1S/C18H24N4OS/c1-2-14-15(24-18(22-14)16-19-10-7-11-20-16)17(23)21-12-13-8-5-3-4-6-9-13/h7,10-11,13H,2-6,8-9,12H2,1H3,(H,21,23)
InChIKeyFBLLLTSBECYHGZ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.86
Rot. Bonds5

About N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59579929) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59579929
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCC1CCCCCC1
InChIInChI=1S/C18H24N4OS/c1-2-14-15(24-18(22-14)16-19-10-7-11-20-16)17(23)21-12-13-8-5-3-4-6-9-13/h7,10-11,13H,2-6,8-9,12H2,1H3,(H,21,23)
InChIKeyFBLLLTSBECYHGZ-UHFFFAOYSA-N
XLogP3.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59579929) is N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FBLLLTSBECYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-14-15(24-18(22-14)16-19-10-7-11-20-16)17(23)21-12-13-8-5-3-4-6-9-13/h7,10-11,13H,2-6,8-9,12H2,1H3,(H,21,23).
What are the key properties of N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).