5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine

C17H31N3S — CID 62766993

IUPAC5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)C(C)(C)C)sc1CNC1CC1
InChIInChI=1S/C17H31N3S/c1-7-8-14-15(11-18-13-9-10-13)21-16(19-14)20(6)12(2)17(3,4)5/h12-13,18H,7-11H2,1-6H3
InChIKeyGJJFGEWOOBSTRO-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.22
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine (PubChem CID 62766993) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
PubChem CID62766993
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)C(C)C(C)(C)C)sc1CNC1CC1
InChIInChI=1S/C17H31N3S/c1-7-8-14-15(11-18-13-9-10-13)21-16(19-14)20(6)12(2)17(3,4)5/h12-13,18H,7-11H2,1-6H3
InChIKeyGJJFGEWOOBSTRO-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-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-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 81064697
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
CID 62768050
N-(3,3-dimethylbutan-2-yl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 55117321
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 115987966
N-[[2-(3-methylbutyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364385
N-[[2-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82433073
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730
5-[(cyclopropylamino)methyl]-N-methyl-4-propyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62767283
N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 62768269
N-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62764846
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392792
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395527

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine (CID 62766993) is 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)C(C)C(C)(C)C)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine?
The InChIKey is GJJFGEWOOBSTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-7-8-14-15(11-18-13-9-10-13)21-16(19-14)20(6)12(2)17(3,4)5/h12-13,18H,7-11H2,1-6H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62766993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).