N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide

C17H28N4O2S — CID 120827381

IUPACN-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
SMILESCNC(C)CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C17H28N4O2S/c1-13(18-2)12-20-14(22)10-17(6-4-3-5-7-17)11-15(23)21-16-19-8-9-24-16/h8-9,13,18H,3-7,10-12H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyBBNUQGMVYHAHTA-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.54
Rot. Bonds8

About N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide

N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide (PubChem CID 120827381) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
PubChem CID120827381
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
SMILESCNC(C)CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C17H28N4O2S/c1-13(18-2)12-20-14(22)10-17(6-4-3-5-7-17)11-15(23)21-16-19-8-9-24-16/h8-9,13,18H,3-7,10-12H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyBBNUQGMVYHAHTA-UHFFFAOYSA-N
XLogP2.54
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86896978
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86897048
N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86895877
2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 119488005
2-[1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide;dihydrochloride
CID 119488004
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86896980
2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86958544
2-[1-[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86972048
2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86945653
2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86935159
2-[1-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61283476
2-[1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86945883

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide (CID 120827381) is N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide is CNC(C)CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
The InChIKey is BBNUQGMVYHAHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-13(18-2)12-20-14(22)10-17(6-4-3-5-7-17)11-15(23)21-16-19-8-9-24-16/h8-9,13,18H,3-7,10-12H2,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 120827381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).