N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C15H19N3OS — CID 20886476

IUPACN-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19N3OS/c1-11-13(14(19)17-12-7-3-2-4-8-12)20-15(16-11)18-9-5-6-10-18/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyBWHFOXXZJYQBPN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.30
Rot. Bonds3

About N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 20886476) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID20886476
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19N3OS/c1-11-13(14(19)17-12-7-3-2-4-8-12)20-15(16-11)18-9-5-6-10-18/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyBWHFOXXZJYQBPN-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 20886476) is N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BWHFOXXZJYQBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-13(14(19)17-12-7-3-2-4-8-12)20-15(16-11)18-9-5-6-10-18/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20886476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).