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

C12H21N5OS — CID 103383325

IUPAC3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)CC1CCCN1C
InChIInChI=1S/C12H21N5OS/c1-14-11(18)9-10(13)15-19-12(9)17(3)7-8-5-4-6-16(8)2/h8H,4-7H2,1-3H3,(H2,13,15)(H,14,18)
InChIKeyNMXQQQWZNQUADH-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.62
Rot. Bonds4

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

3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 103383325) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide
PubChem CID103383325
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)CC1CCCN1C
InChIInChI=1S/C12H21N5OS/c1-14-11(18)9-10(13)15-19-12(9)17(3)7-8-5-4-6-16(8)2/h8H,4-7H2,1-3H3,(H2,13,15)(H,14,18)
InChIKeyNMXQQQWZNQUADH-UHFFFAOYSA-N
XLogP0.62
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380792
3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379754
4-methoxy-5-N-methyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103383326
3-amino-N-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103380614
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
4-amino-N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671276
3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380335
3-amino-5-[cyclopropyl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380383
4-amino-2-(cyclopropylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671279
3-amino-5-[(1-ethylpiperidin-3-yl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378417
ethyl 3-amino-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103381836
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide (CID 103383325) is 3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N(C)CC1CCCN1C.
What is the InChIKey of 3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is NMXQQQWZNQUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-14-11(18)9-10(13)15-19-12(9)17(3)7-8-5-4-6-16(8)2/h8H,4-7H2,1-3H3,(H2,13,15)(H,14,18).
What are the key properties of 3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).