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

C14H14N2O2S — CID 4673629

IUPACN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCOc1cccc(-c2csc(NC(=O)C3CC3)n2)c1
InChIInChI=1S/C14H14N2O2S/c1-18-11-4-2-3-10(7-11)12-8-19-14(15-12)16-13(17)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)
InChIKeyJGLVRKAKSRQNOU-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.17
Rot. Bonds4

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

N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 4673629) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID4673629
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCOc1cccc(-c2csc(NC(=O)C3CC3)n2)c1
InChIInChI=1S/C14H14N2O2S/c1-18-11-4-2-3-10(7-11)12-8-19-14(15-12)16-13(17)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,15,16,17)
InChIKeyJGLVRKAKSRQNOU-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

T16AInh-A01
CID 135460621
2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2168034
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
4-[3-(Trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 2760731
4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-(3-Methoxyphenyl)-1,3-thiazol-2-amine
CID 734629
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 4673629) is N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is COc1cccc(-c2csc(NC(=O)C3CC3)n2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is JGLVRKAKSRQNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-11-4-2-3-10(7-11)12-8-19-14(15-12)16-13(17)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 274.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 4673629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).