4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide

C15H20N4OS — CID 116663126

IUPAC4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2sc(N(C)C)nc2N)c1
InChIInChI=1S/C15H20N4OS/c1-10-6-5-7-11(8-10)9-19(4)14(20)12-13(16)17-15(21-12)18(2)3/h5-8H,9,16H2,1-4H3
InChIKeyIPKFBLOACURWRN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.37
Rot. Bonds4

About 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116663126) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116663126
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2sc(N(C)C)nc2N)c1
InChIInChI=1S/C15H20N4OS/c1-10-6-5-7-11(8-10)9-19(4)14(20)12-13(16)17-15(21-12)18(2)3/h5-8H,9,16H2,1-4H3
InChIKeyIPKFBLOACURWRN-UHFFFAOYSA-N
XLogP2.37
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663147
4-amino-2-(dimethylamino)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663214
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663381
4-amino-2-[ethyl(methyl)amino]-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670630
4-amino-2-(dimethylamino)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671884
4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663116
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 105385956
4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63918570
4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670788

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 116663126) is 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is Cc1cccc(CN(C)C(=O)c2sc(N(C)C)nc2N)c1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IPKFBLOACURWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-6-5-7-11(8-10)9-19(4)14(20)12-13(16)17-15(21-12)18(2)3/h5-8H,9,16H2,1-4H3.
What are the key properties of 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).