2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C13H16N4OS — CID 62792415

IUPAC2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H16N4OS/c1-8-11(19-13(14)16-8)12(18)17(3)9(2)10-4-6-15-7-5-10/h4-7,9H,1-3H3,(H2,14,16)
InChIKeyCXMDSUDMXVLEHD-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 62792415) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID62792415
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H16N4OS/c1-8-11(19-13(14)16-8)12(18)17(3)9(2)10-4-6-15-7-5-10/h4-7,9H,1-3H3,(H2,14,16)
InChIKeyCXMDSUDMXVLEHD-UHFFFAOYSA-N
XLogP2.26
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61114386
2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 673715
2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 55115723
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 43250337
4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 61115899
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61107639
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 62792415) is 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N(C)C(C)c1ccncc1.
What is the InChIKey of 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CXMDSUDMXVLEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-11(19-13(14)16-8)12(18)17(3)9(2)10-4-6-15-7-5-10/h4-7,9H,1-3H3,(H2,14,16).
What are the key properties of 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62792415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).