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

C12H22N4OS — CID 102992909

IUPAC2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1csc(CN)n1
InChIInChI=1S/C12H22N4OS/c1-4-16(7-5-6-15(2)3)12(17)10-9-18-11(8-13)14-10/h9H,4-8,13H2,1-3H3
InChIKeyKAJHISBHKHBJON-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.02
Rot. Bonds7

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

2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 102992909) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID102992909
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1csc(CN)n1
InChIInChI=1S/C12H22N4OS/c1-4-16(7-5-6-15(2)3)12(17)10-9-18-11(8-13)14-10/h9H,4-8,13H2,1-3H3
InChIKeyKAJHISBHKHBJON-UHFFFAOYSA-N
XLogP1.02
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
(4-Isopropyl-piperazin-1-yl)-(2-piperidin-1-ylmethyl-thiazol-4-yl)-methanone
CID 11573599
Cobicistat metabolite M9.1
CID 69479782
(4-Ethylpiperazin-1-yl)-(2-ethynyl-1,3-thiazol-4-yl)methanone
CID 168282839
2-ethynyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168295957
2-bromo-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168278291
2-Methyl-1,3-thiazole-4-carboxylic acid amide
CID 7019409
2-(Aminomethyl)-1,3-thiazole-4-carboxamide
CID 18003418
Dimethyl(3-(((2'-methyl(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)sulfonium chloride
CID 72644
2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 36936730
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 47053575

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 102992909) is 2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCN(CCCN(C)C)C(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is KAJHISBHKHBJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-16(7-5-6-15(2)3)12(17)10-9-18-11(8-13)14-10/h9H,4-8,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102992909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).