N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide

C18H29N3OS — CID 126793125

IUPACN-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
SMILESCC(=O)N(c1nc(CN[C@H](C)CC2CCCCC2)cs1)C1CC1
InChIInChI=1S/C18H29N3OS/c1-13(10-15-6-4-3-5-7-15)19-11-16-12-23-18(20-16)21(14(2)22)17-8-9-17/h12-13,15,17,19H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyZUYJHHNSEHPHBZ-CYBMUJFWSA-N
MW335.52 g/mol
LogP4.11
Rot. Bonds7

About N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide

N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide (PubChem CID 126793125) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
PubChem CID126793125
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC NameN-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
SMILESCC(=O)N(c1nc(CN[C@H](C)CC2CCCCC2)cs1)C1CC1
InChIInChI=1S/C18H29N3OS/c1-13(10-15-6-4-3-5-7-15)19-11-16-12-23-18(20-16)21(14(2)22)17-8-9-17/h12-13,15,17,19H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyZUYJHHNSEHPHBZ-CYBMUJFWSA-N
XLogP4.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide with MolForge

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Related Compounds

4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115726275
N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111579313
N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 111442466
N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 111336050
N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 97352784
N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 75422605
2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
CID 126803496
N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 75496137
N-cyclopropyl-N-[4-[(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 136537355
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226283
N-ethyl-N-[4-[[1-(oxolan-3-yl)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115655333

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
The IUPAC name of N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide (CID 126793125) is N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
The canonical SMILES for N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide is CC(=O)N(c1nc(CN[C@H](C)CC2CCCCC2)cs1)C1CC1.
What is the InChIKey of N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
The InChIKey is ZUYJHHNSEHPHBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-13(10-15-6-4-3-5-7-15)19-11-16-12-23-18(20-16)21(14(2)22)17-8-9-17/h12-13,15,17,19H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide has a molecular weight of 335.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 126793125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).