2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C16H17N3O3S — CID 857269

IUPAC2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NC(=O)C3CC3)nc2C)cc1
InChIInChI=1S/C16H17N3O3S/c1-9-13(23-16(17-9)19-14(20)10-3-4-10)15(21)18-11-5-7-12(22-2)8-6-11/h5-8,10H,3-4H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyGAPNCDYWAMKXRL-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.06
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 857269) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID857269
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NC(=O)C3CC3)nc2C)cc1
InChIInChI=1S/C16H17N3O3S/c1-9-13(23-16(17-9)19-14(20)10-3-4-10)15(21)18-11-5-7-12(22-2)8-6-11/h5-8,10H,3-4H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyGAPNCDYWAMKXRL-UHFFFAOYSA-N
XLogP3.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 857269) is 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(NC(=O)C3CC3)nc2C)cc1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GAPNCDYWAMKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9-13(23-16(17-9)19-14(20)10-3-4-10)15(21)18-11-5-7-12(22-2)8-6-11/h5-8,10H,3-4H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 857269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).