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

C11H19N3S — CID 103361295

IUPAC5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(CC(C)C)C1CC1
InChIInChI=1S/C11H19N3S/c1-7(2)6-14(9-4-5-9)11-8(3)10(12)13-15-11/h7,9H,4-6H2,1-3H3,(H2,12,13)
InChIKeyXRPPHJIGQFPLCT-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.66
Rot. Bonds4

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

5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361295) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103361295
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(CC(C)C)C1CC1
InChIInChI=1S/C11H19N3S/c1-7(2)6-14(9-4-5-9)11-8(3)10(12)13-15-11/h7,9H,4-6H2,1-3H3,(H2,12,13)
InChIKeyXRPPHJIGQFPLCT-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103360824
3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103380284
2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol
CID 103361420
5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361291
5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383435
5-N-(2-methoxyethyl)-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103360763
4-N-cyclopentyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80854611
5-N-(cyclobutylmethyl)-5-N-ethyl-4-methyl-1,2-thiazole-3,5-diamine
CID 107403290
5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103363007
4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine
CID 103361797
2-N-cyclopropyl-2-N-(2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 55002162
2-N-cyclopropyl-4-N,4-N-diethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80809874

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine (CID 103361295) is 5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1N(CC(C)C)C1CC1.
What is the InChIKey of 5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is XRPPHJIGQFPLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7(2)6-14(9-4-5-9)11-8(3)10(12)13-15-11/h7,9H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine?
5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 225.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).