N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide

C9H15N3OS — CID 103885112

IUPACN,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNCCN(C)C(=O)c1cnc(C)s1
InChIInChI=1S/C9H15N3OS/c1-7-11-6-8(14-7)9(13)12(3)5-4-10-2/h6,10H,4-5H2,1-3H3
InChIKeyJTPQYDPEFZIKSB-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.74
Rot. Bonds4

About N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide

N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 103885112) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID103885112
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNCCN(C)C(=O)c1cnc(C)s1
InChIInChI=1S/C9H15N3OS/c1-7-11-6-8(14-7)9(13)12(3)5-4-10-2/h6,10H,4-5H2,1-3H3
InChIKeyJTPQYDPEFZIKSB-UHFFFAOYSA-N
XLogP0.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 110855689
2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 103790895
4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 80537078
2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 113264836
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47084300
N,3,6-trimethyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671510
2-(ethylamino)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 84590724
N-cyclopropyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103828140
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119454974
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127
N-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671511
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 103885112) is N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide is CNCCN(C)C(=O)c1cnc(C)s1.
What is the InChIKey of N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JTPQYDPEFZIKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-6-8(14-7)9(13)12(3)5-4-10-2/h6,10H,4-5H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide?
N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103885112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).