4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine

C10H18N2S — CID 58115695

IUPAC4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Cc1csc(NC(C)C)n1
InChIInChI=1S/C10H18N2S/c1-7(2)5-9-6-13-10(12-9)11-8(3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyLXRDAOVEQYHJBA-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.16
Rot. Bonds4

About 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine

4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 58115695) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID58115695
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Cc1csc(NC(C)C)n1
InChIInChI=1S/C10H18N2S/c1-7(2)5-9-6-13-10(12-9)11-8(3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyLXRDAOVEQYHJBA-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 58115695) is 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Cc1csc(NC(C)C)n1.
What is the InChIKey of 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is LXRDAOVEQYHJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(2)5-9-6-13-10(12-9)11-8(3)4/h6-8H,5H2,1-4H3,(H,11,12).
What are the key properties of 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 198.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58115695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).