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

C18H15N3O2S2 — CID 51149967

IUPAC3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H15N3O2S2/c22-16(11-6-7-11)19-13-4-1-3-12(9-13)17(23)21-18-20-14(10-25-18)15-5-2-8-24-15/h1-5,8-11H,6-7H2,(H,19,22)(H,20,21,23)
InChIKeyMUESEVPLJYURCW-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.47
Rot. Bonds5

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

3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 51149967) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID51149967
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H15N3O2S2/c22-16(11-6-7-11)19-13-4-1-3-12(9-13)17(23)21-18-20-14(10-25-18)15-5-2-8-24-15/h1-5,8-11H,6-7H2,(H,19,22)(H,20,21,23)
InChIKeyMUESEVPLJYURCW-UHFFFAOYSA-N
XLogP4.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 134049851
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 43040962
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
(1S,2S,3S,4R)-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51373083
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049640
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
cis-(1S,2R)-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6966078
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 51149967) is 3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccs2)cs1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MUESEVPLJYURCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c22-16(11-6-7-11)19-13-4-1-3-12(9-13)17(23)21-18-20-14(10-25-18)15-5-2-8-24-15/h1-5,8-11H,6-7H2,(H,19,22)(H,20,21,23).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 51149967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).