4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine

C16H28N4S — CID 103359417

IUPAC4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine
SMILESCC1CCCC(CNc2snc(N)c2C2CC2)(N(C)C)C1
InChIInChI=1S/C16H28N4S/c1-11-5-4-8-16(9-11,20(2)3)10-18-15-13(12-6-7-12)14(17)19-21-15/h11-12,18H,4-10H2,1-3H3,(H2,17,19)
InChIKeyNWTYDQANKODCOS-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.53
Rot. Bonds5

About 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359417) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359417
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine
SMILESCC1CCCC(CNc2snc(N)c2C2CC2)(N(C)C)C1
InChIInChI=1S/C16H28N4S/c1-11-5-4-8-16(9-11,20(2)3)10-18-15-13(12-6-7-12)14(17)19-21-15/h11-12,18H,4-10H2,1-3H3,(H2,17,19)
InChIKeyNWTYDQANKODCOS-UHFFFAOYSA-N
XLogP3.53
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine (CID 103359417) is 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine is CC1CCCC(CNc2snc(N)c2C2CC2)(N(C)C)C1.
What is the InChIKey of 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is NWTYDQANKODCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-11-5-4-8-16(9-11,20(2)3)10-18-15-13(12-6-7-12)14(17)19-21-15/h11-12,18H,4-10H2,1-3H3,(H2,17,19).
What are the key properties of 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 308.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).