4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide

C12H20N4OS — CID 116673980

IUPAC4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCCCN(C)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H20N4OS/c1-5-6-7-8-16(4)11(17)9-10(13)14-12(18-9)15(2)3/h5H,1,6-8,13H2,2-4H3
InChIKeyKDUSVRHUEWCPBP-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.83
Rot. Bonds6

About 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide (PubChem CID 116673980) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide
PubChem CID116673980
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCCCN(C)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H20N4OS/c1-5-6-7-8-16(4)11(17)9-10(13)14-12(18-9)15(2)3/h5H,1,6-8,13H2,2-4H3
InChIKeyKDUSVRHUEWCPBP-UHFFFAOYSA-N
XLogP1.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-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

4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673968
4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672061
4-amino-2-(dimethylamino)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671884
4-amino-2-(dimethylamino)-N,N-bis(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670876
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116669684
4-amino-2-[ethyl(methyl)amino]-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 114265110
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126
4-amino-N-cyclohexyl-2-(dimethylamino)-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116664324
4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116664214
4-amino-N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663147
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666508

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide (CID 116673980) is 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide is C=CCCCN(C)C(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide?
The InChIKey is KDUSVRHUEWCPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-5-6-7-8-16(4)11(17)9-10(13)14-12(18-9)15(2)3/h5H,1,6-8,13H2,2-4H3.
What are the key properties of 4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.83, 6 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-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).