N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide

C16H27N3OS — CID 124741779

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
SMILESCC[C@](C)(NCC(=O)N[C@@H]1CCCC[C@H]1C)c1nccs1
InChIInChI=1S/C16H27N3OS/c1-4-16(3,15-17-9-10-21-15)18-11-14(20)19-13-8-6-5-7-12(13)2/h9-10,12-13,18H,4-8,11H2,1-3H3,(H,19,20)/t12-,13-,16+/m1/s1
InChIKeyWWVUEMHBYYKWBE-IOASZLSFSA-N
MW309.48 g/mol
LogP3.05
Rot. Bonds6

About N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide (PubChem CID 124741779) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
PubChem CID124741779
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
SMILESCC[C@](C)(NCC(=O)N[C@@H]1CCCC[C@H]1C)c1nccs1
InChIInChI=1S/C16H27N3OS/c1-4-16(3,15-17-9-10-21-15)18-11-14(20)19-13-8-6-5-7-12(13)2/h9-10,12-13,18H,4-8,11H2,1-3H3,(H,19,20)/t12-,13-,16+/m1/s1
InChIKeyWWVUEMHBYYKWBE-IOASZLSFSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide with MolForge

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Related Compounds

N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
2-(tert-butylamino)-N-(2-methylcyclopentyl)acetamide
CID 78942036
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901396
[2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid
CID 70984754
N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 3249198
2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892436
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465971
(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901402
2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 51965737
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892442

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide (CID 124741779) is N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide is CC[C@](C)(NCC(=O)N[C@@H]1CCCC[C@H]1C)c1nccs1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
The InChIKey is WWVUEMHBYYKWBE-IOASZLSFSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-16(3,15-17-9-10-21-15)18-11-14(20)19-13-8-6-5-7-12(13)2/h9-10,12-13,18H,4-8,11H2,1-3H3,(H,19,20)/t12-,13-,16+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide has a molecular weight of 309.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide is sourced from PubChem (CID 124741779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).