N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C17H19ClN2OS — CID 23860914

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2nc(-c3ccccc3Cl)cs2)C1(C)C
InChIInChI=1S/C17H19ClN2OS/c1-16(2)13(17(16,3)4)14(21)20-15-19-12(9-22-15)10-7-5-6-8-11(10)18/h5-9,13H,1-4H3,(H,19,20,21)
InChIKeyNVNFTKRZIUIZMX-UHFFFAOYSA-N
MW334.87 g/mol
LogP5.08
Rot. Bonds3

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 23860914) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID23860914
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2nc(-c3ccccc3Cl)cs2)C1(C)C
InChIInChI=1S/C17H19ClN2OS/c1-16(2)13(17(16,3)4)14(21)20-15-19-12(9-22-15)10-7-5-6-8-11(10)18/h5-9,13H,1-4H3,(H,19,20,21)
InChIKeyNVNFTKRZIUIZMX-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
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2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856308
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
(Z)-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 46235790
(2S)-2-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119264489
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
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N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxypyrazine-2-carboxamide
CID 162386970
(3S)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 23860914) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2nc(-c3ccccc3Cl)cs2)C1(C)C.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is NVNFTKRZIUIZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-16(2)13(17(16,3)4)14(21)20-15-19-12(9-22-15)10-7-5-6-8-11(10)18/h5-9,13H,1-4H3,(H,19,20,21).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 334.87 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 23860914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).