5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine

C15H29N3S — CID 107871472

IUPAC5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(CCC(C)C)CCC(C)C)s1
InChIInChI=1S/C15H29N3S/c1-12(2)6-8-18(9-7-13(3)4)15-17-11-14(19-15)10-16-5/h11-13,16H,6-10H2,1-5H3
InChIKeyPMZRPVQVKSOQTE-UHFFFAOYSA-N
MW283.49 g/mol
LogP3.76
Rot. Bonds9

About 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine

5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 107871472) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID107871472
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC Name5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(CCC(C)C)CCC(C)C)s1
InChIInChI=1S/C15H29N3S/c1-12(2)6-8-18(9-7-13(3)4)15-17-11-14(19-15)10-16-5/h11-13,16H,6-10H2,1-5H3
InChIKeyPMZRPVQVKSOQTE-UHFFFAOYSA-N
XLogP3.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine 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

5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62753806
1-[2-[bis(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanone
CID 114011277
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752523
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
N-(2-ethoxyethyl)-N-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63690743
N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 62753392
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752566
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine
CID 107871217
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 55112407
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107870528
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine (CID 107871472) is 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine is CNCc1cnc(N(CCC(C)C)CCC(C)C)s1.
What is the InChIKey of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is PMZRPVQVKSOQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-12(2)6-8-18(9-7-13(3)4)15-17-11-14(19-15)10-16-5/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine?
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 283.49 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107871472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).