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

C12H19N3S — CID 103362293

IUPAC4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(CC1CC1)Nc1snc(N)c1C1CC1
InChIInChI=1S/C12H19N3S/c1-7(6-8-2-3-8)14-12-10(9-4-5-9)11(13)15-16-12/h7-9,14H,2-6H2,1H3,(H2,13,15)
InChIKeyYWFKBODVUOLXQM-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.20
Rot. Bonds5

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

4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103362293) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103362293
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(CC1CC1)Nc1snc(N)c1C1CC1
InChIInChI=1S/C12H19N3S/c1-7(6-8-2-3-8)14-12-10(9-4-5-9)11(13)15-16-12/h7-9,14H,2-6H2,1H3,(H2,13,15)
InChIKeyYWFKBODVUOLXQM-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine (CID 103362293) is 4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine is CC(CC1CC1)Nc1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is YWFKBODVUOLXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-7(6-8-2-3-8)14-12-10(9-4-5-9)11(13)15-16-12/h7-9,14H,2-6H2,1H3,(H2,13,15).
What are the key properties of 4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 237.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).