N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide

C9H15N3OS — CID 110647682

IUPACN-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN(C)C)cs1
InChIInChI=1S/C9H15N3OS/c1-7-11-8(6-14-7)9(13)10-4-5-12(2)3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyAHQICXMAOSQNKL-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.74
Rot. Bonds4

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

N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110647682) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID110647682
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN(C)C)cs1
InChIInChI=1S/C9H15N3OS/c1-7-11-8(6-14-7)9(13)10-4-5-12(2)3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyAHQICXMAOSQNKL-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-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107322343
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
N-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647680
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 115703844
N-[2-(dimethylamino)ethyl]-2-[(2-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611237
2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 110647682) is N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCN(C)C)cs1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is AHQICXMAOSQNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-8(6-14-7)9(13)10-4-5-12(2)3/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-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-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110647682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).