N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C16H23N3O2S — CID 41228156

IUPACN-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)NC1CCCCCC1
InChIInChI=1S/C16H23N3O2S/c20-14(17-12-5-3-1-2-4-6-12)9-13-10-22-16(18-13)19-15(21)11-7-8-11/h10-12H,1-9H2,(H,17,20)(H,18,19,21)
InChIKeyZKFGRTKVOMFHLD-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.87
Rot. Bonds5

About N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 41228156) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID41228156
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)NC1CCCCCC1
InChIInChI=1S/C16H23N3O2S/c20-14(17-12-5-3-1-2-4-6-12)9-13-10-22-16(18-13)19-15(21)11-7-8-11/h10-12H,1-9H2,(H,17,20)(H,18,19,21)
InChIKeyZKFGRTKVOMFHLD-UHFFFAOYSA-N
XLogP2.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227
2-methylpropyl N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884004
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581
1-cyclohexyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
CID 41211603
1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 41211659
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 28803745
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
CID 41211744
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 43996974

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 41228156) is N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Cc1csc(NC(=O)C2CC2)n1)NC1CCCCCC1.
What is the InChIKey of N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is ZKFGRTKVOMFHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-14(17-12-5-3-1-2-4-6-12)9-13-10-22-16(18-13)19-15(21)11-7-8-11/h10-12H,1-9H2,(H,17,20)(H,18,19,21).
What are the key properties of N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 41228156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).