3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C15H20N4OS — CID 103383106

IUPAC3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCc1cccc(CNc2snc(N)c2C(=O)NC(C)C)c1
InChIInChI=1S/C15H20N4OS/c1-9(2)18-14(20)12-13(16)19-21-15(12)17-8-11-6-4-5-10(3)7-11/h4-7,9,17H,8H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyXFEMITIUOYZYHJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.78
Rot. Bonds5

About 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103383106) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103383106
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCc1cccc(CNc2snc(N)c2C(=O)NC(C)C)c1
InChIInChI=1S/C15H20N4OS/c1-9(2)18-14(20)12-13(16)19-21-15(12)17-8-11-6-4-5-10(3)7-11/h4-7,9,17H,8H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyXFEMITIUOYZYHJ-UHFFFAOYSA-N
XLogP2.78
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380008
3-amino-5-[(2-fluorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382606
1-[3-methyl-5-[(3-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363944
ethyl 3-amino-5-[(3-fluorophenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103382737
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380000
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143
3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103378557
3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
ethyl 4,5-dimethyl-2-[(3-methylphenyl)methylamino]thiophene-3-carboxylate
CID 110827408
3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107421532
3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
CID 106015602

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103383106) is 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is Cc1cccc(CNc2snc(N)c2C(=O)NC(C)C)c1.
What is the InChIKey of 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is XFEMITIUOYZYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)18-14(20)12-13(16)19-21-15(12)17-8-11-6-4-5-10(3)7-11/h4-7,9,17H,8H2,1-3H3,(H2,16,19)(H,18,20).
What are the key properties of 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).