2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide

C14H22N2O2S — CID 111331213

IUPAC2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2(O)CCCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-13(2,3)12-15-8-10(19-12)11(17)16-9-14(18)6-4-5-7-14/h8,18H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyPRCIIDJERAVMJV-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.48
Rot. Bonds3

About 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 111331213) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID111331213
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2(O)CCCC2)s1
InChIInChI=1S/C14H22N2O2S/c1-13(2,3)12-15-8-10(19-12)11(17)16-9-14(18)6-4-5-7-14/h8,18H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyPRCIIDJERAVMJV-UHFFFAOYSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320
1-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56799138
2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 47727483
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114502
N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065
4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide
CID 64866994
2-ethyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 111485009
1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791308
N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 64868487
2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 111460360
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111446010
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426824

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide (CID 111331213) is 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCC2(O)CCCC2)s1.
What is the InChIKey of 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PRCIIDJERAVMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-13(2,3)12-15-8-10(19-12)11(17)16-9-14(18)6-4-5-7-14/h8,18H,4-7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111331213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).