4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide

C16H17N3O2S — CID 18128666

IUPAC4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)sc1C
InChIInChI=1S/C16H17N3O2S/c1-9-10(2)22-16(17-9)19-15(21)12-5-7-13(8-6-12)18-14(20)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyKAQYDCHKEGCUJR-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.36
Rot. Bonds4

About 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide

4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide (PubChem CID 18128666) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
PubChem CID18128666
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)sc1C
InChIInChI=1S/C16H17N3O2S/c1-9-10(2)22-16(17-9)19-15(21)12-5-7-13(8-6-12)18-14(20)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyKAQYDCHKEGCUJR-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847721
4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 88588972
6-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62061155
(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 94916867
4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
CID 17296301
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 18292040
N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468167

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide (CID 18128666) is 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide is Cc1nc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)sc1C.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KAQYDCHKEGCUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9-10(2)22-16(17-9)19-15(21)12-5-7-13(8-6-12)18-14(20)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide?
4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 315.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18128666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).