4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C12H22N4OS — CID 116669635

IUPAC4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC(C)C)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H22N4OS/c1-6-16(7-8(2)3)11(17)9-10(13)14-12(18-9)15(4)5/h8H,6-7,13H2,1-5H3
InChIKeyYJIHXFVRQHKMIN-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.91
Rot. Bonds5

About 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116669635) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID116669635
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC(C)C)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H22N4OS/c1-6-16(7-8(2)3)11(17)9-10(13)14-12(18-9)15(4)5/h8H,6-7,13H2,1-5H3
InChIKeyYJIHXFVRQHKMIN-UHFFFAOYSA-N
XLogP1.91
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116664385
4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide
CID 116663507
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116669684
4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669628
4-amino-2-(dimethylamino)-N,N-bis(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670876
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666508
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594
4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116669640
4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663408
4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 116665037
4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116671241

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 116669635) is 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is CCN(CC(C)C)C(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YJIHXFVRQHKMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-6-16(7-8(2)3)11(17)9-10(13)14-12(18-9)15(4)5/h8H,6-7,13H2,1-5H3.
What are the key properties of 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).