N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide

C20H31N3O2S — CID 98077180

IUPACN-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCC(=O)N[C@H](c1nccs1)C1CCC(CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H31N3O2S/c1-14(24)23-18(20-21-11-12-26-20)16-9-7-15(8-10-16)13-22-19(25)17-5-3-2-4-6-17/h11-12,15-18H,2-10,13H2,1H3,(H,22,25)(H,23,24)/t15?,16?,18-/m0/s1
InChIKeyCPSZZXCUBOXVFI-HTWSVDAQSA-N
MW377.55 g/mol
LogP3.82
Rot. Bonds6

About N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide

N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide (PubChem CID 98077180) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
PubChem CID98077180
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC NameN-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
SMILESCC(=O)N[C@H](c1nccs1)C1CCC(CNC(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H31N3O2S/c1-14(24)23-18(20-21-11-12-26-20)16-9-7-15(8-10-16)13-22-19(25)17-5-3-2-4-6-17/h11-12,15-18H,2-10,13H2,1H3,(H,22,25)(H,23,24)/t15?,16?,18-/m0/s1
InChIKeyCPSZZXCUBOXVFI-HTWSVDAQSA-N
XLogP3.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
(1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 98077240
N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide
CID 98077255
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
CID 71978867
N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077263
N-[[4-[(R)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077259
N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide
CID 98077276
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 110090225
1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95968026
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110241999
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 71925622

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide (CID 98077180) is N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide is CC(=O)N[C@H](c1nccs1)C1CCC(CNC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide?
The InChIKey is CPSZZXCUBOXVFI-HTWSVDAQSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-14(24)23-18(20-21-11-12-26-20)16-9-7-15(8-10-16)13-22-19(25)17-5-3-2-4-6-17/h11-12,15-18H,2-10,13H2,1H3,(H,22,25)(H,23,24)/t15?,16?,18-/m0/s1.
What are the key properties of N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide?
N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide has a molecular weight of 377.55 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 98077180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).