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

C17H23N3OS — CID 20930809

IUPACN-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(-n2cccc2)sc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H23N3OS/c1-2-8-14-15(16(21)18-13-9-4-3-5-10-13)22-17(19-14)20-11-6-7-12-20/h6-7,11-13H,2-5,8-10H2,1H3,(H,18,21)
InChIKeyXHXPPWXMGSVCHE-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.95
Rot. Bonds5

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

N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 20930809) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID20930809
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(-n2cccc2)sc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H23N3OS/c1-2-8-14-15(16(21)18-13-9-4-3-5-10-13)22-17(19-14)20-11-6-7-12-20/h6-7,11-13H,2-5,8-10H2,1H3,(H,18,21)
InChIKeyXHXPPWXMGSVCHE-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 20930809) is N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CCCc1nc(-n2cccc2)sc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is XHXPPWXMGSVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-8-14-15(16(21)18-13-9-4-3-5-10-13)22-17(19-14)20-11-6-7-12-20/h6-7,11-13H,2-5,8-10H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-propyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20930809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).