4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

C14H25N5OS — CID 116671275

IUPAC4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)N(C)CC2CCCN2C)s1
InChIInChI=1S/C14H25N5OS/c1-5-17(2)14-16-12(15)11(21-14)13(20)19(4)9-10-7-6-8-18(10)3/h10H,5-9,15H2,1-4H3
InChIKeyLSVJHNTXIIMQAT-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.35
Rot. Bonds5

About 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116671275) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116671275
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)N(C)CC2CCCN2C)s1
InChIInChI=1S/C14H25N5OS/c1-5-17(2)14-16-12(15)11(21-14)13(20)19(4)9-10-7-6-8-18(10)3/h10H,5-9,15H2,1-4H3
InChIKeyLSVJHNTXIIMQAT-UHFFFAOYSA-N
XLogP1.35
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(cyclopentylmethyl)-2-[ethyl(methyl)amino]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666232
4-amino-N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671276
4-amino-2-(cyclopropylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671279
4-amino-N-cyclohexyl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668423
4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116671810
5-acetyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697867
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
CID 116666847
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229399
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670407
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 116668941
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpiperidin-1-yl)methanone
CID 116673615
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674692

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116671275) is 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)N(C)CC2CCCN2C)s1.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LSVJHNTXIIMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-5-17(2)14-16-12(15)11(21-14)13(20)19(4)9-10-7-6-8-18(10)3/h10H,5-9,15H2,1-4H3.
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 311.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).