N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C15H24N2OS — CID 55684410

IUPACN-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H24N2OS/c1-10(2)15-17-11(3)13(19-15)14(18)16-9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,16,18)
InChIKeyWDMIULCPHCSUKB-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.89
Rot. Bonds4

About N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55684410) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55684410
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H24N2OS/c1-10(2)15-17-11(3)13(19-15)14(18)16-9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,16,18)
InChIKeyWDMIULCPHCSUKB-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 55684410) is N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WDMIULCPHCSUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)15-17-11(3)13(19-15)14(18)16-9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,16,18).
What are the key properties of N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55684410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).