N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide

C19H20N4OS — CID 53200066

IUPACN-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(C)c(C(=O)N(C)Cc3ccccc3)s2)n1
InChIInChI=1S/C19H20N4OS/c1-13-8-7-11-16(20-13)22-19-21-14(2)17(25-19)18(24)23(3)12-15-9-5-4-6-10-15/h4-11H,12H2,1-3H3,(H,20,21,22)
InChIKeyNXSKARLQUVQNMC-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.17
Rot. Bonds5

About N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide

N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 53200066) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID53200066
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(C)c(C(=O)N(C)Cc3ccccc3)s2)n1
InChIInChI=1S/C19H20N4OS/c1-13-8-7-11-16(20-13)22-19-21-14(2)17(25-19)18(24)23(3)12-15-9-5-4-6-10-15/h4-11H,12H2,1-3H3,(H,20,21,22)
InChIKeyNXSKARLQUVQNMC-UHFFFAOYSA-N
XLogP4.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200058
N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 53200053
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 87864755
3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 110951922
N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 47096995
4-methyl-N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 46512544
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylbenzamide
CID 10116565
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (CID 53200066) is N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Nc2nc(C)c(C(=O)N(C)Cc3ccccc3)s2)n1.
What is the InChIKey of N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is NXSKARLQUVQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-8-7-11-16(20-13)22-19-21-14(2)17(25-19)18(24)23(3)12-15-9-5-4-6-10-15/h4-11H,12H2,1-3H3,(H,20,21,22).
What are the key properties of N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53200066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).