trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide

C14H21N3O2S — CID 100756279

IUPACtrans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCCc1nccs1
InChIInChI=1S/C14H21N3O2S/c15-14(19)10-4-1-2-5-11(10)17-12(18)6-3-7-13-16-8-9-20-13/h8-11H,1-7H2,(H2,15,19)(H,17,18)/t10-,11-/m1/s1
InChIKeyQBCIUYKQVRZJFE-GHMZBOCLSA-N
MW295.41 g/mol
LogP1.63
Rot. Bonds6

About trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide

trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide (PubChem CID 100756279) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide
PubChem CID100756279
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Nametrans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCCc1nccs1
InChIInChI=1S/C14H21N3O2S/c15-14(19)10-4-1-2-5-11(10)17-12(18)6-3-7-13-16-8-9-20-13/h8-11H,1-7H2,(H2,15,19)(H,17,18)/t10-,11-/m1/s1
InChIKeyQBCIUYKQVRZJFE-GHMZBOCLSA-N
XLogP1.63
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-(1,3-thiazol-2-ylcarbamoylamino)cycloheptane-1-carboxamide
CID 97018542
2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119334193
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372
2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]cyclopentane-1-carboxamide
CID 71922038
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816179
1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
CID 79824416
2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
cis-(1R,2S)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
CID 96528414
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide (CID 100756279) is trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide is NC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCCc1nccs1.
What is the InChIKey of trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide?
The InChIKey is QBCIUYKQVRZJFE-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-14(19)10-4-1-2-5-11(10)17-12(18)6-3-7-13-16-8-9-20-13/h8-11H,1-7H2,(H2,15,19)(H,17,18)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide?
trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 100756279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).