4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide

C15H17N3OS — CID 47035824

IUPAC4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H17N3OS/c1-11-14(20-10-16-11)15(19)17-12-4-6-13(7-5-12)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)
InChIKeyCVYNUHJSUPCJBV-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 47035824) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID47035824
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H17N3OS/c1-11-14(20-10-16-11)15(19)17-12-4-6-13(7-5-12)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)
InChIKeyCVYNUHJSUPCJBV-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 67113731
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110650765
N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110862156
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 61110951
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
(E)-3-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 43654539
N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51353377
4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122352085

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide (CID 47035824) is 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CVYNUHJSUPCJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-14(20-10-16-11)15(19)17-12-4-6-13(7-5-12)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,17,19).
What are the key properties of 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47035824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).