4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine

C12H21N3S — CID 103363057

IUPAC4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)(C)N(C)c1snc(N)c1C1CC1
InChIInChI=1S/C12H21N3S/c1-5-12(2,3)15(4)11-9(8-6-7-8)10(13)14-16-11/h8H,5-7H2,1-4H3,(H2,13,14)
InChIKeyQCSWXGLDKLNYSN-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.23
Rot. Bonds4

About 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103363057) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103363057
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)(C)N(C)c1snc(N)c1C1CC1
InChIInChI=1S/C12H21N3S/c1-5-12(2,3)15(4)11-9(8-6-7-8)10(13)14-16-11/h8H,5-7H2,1-4H3,(H2,13,14)
InChIKeyQCSWXGLDKLNYSN-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine 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-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine
CID 103361797
5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103381999
3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382005
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 103361842
4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361026
5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361490
4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361091
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
CID 103365425
4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine
CID 103363365
4-cyclopropyl-5-N-(2-cyclopropylethyl)-1,2-thiazole-3,5-diamine
CID 103359905
5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362232
5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103365365

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine (CID 103363057) is 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine is CCC(C)(C)N(C)c1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is QCSWXGLDKLNYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-12(2,3)15(4)11-9(8-6-7-8)10(13)14-16-11/h8H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 239.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).