4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine

C10H18N2S — CID 86013148

IUPAC4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Cc1nc(N)sc1C(C)C
InChIInChI=1S/C10H18N2S/c1-6(2)5-8-9(7(3)4)13-10(11)12-8/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyZWXWDYWCRDMOIU-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.05
Rot. Bonds3

About 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine

4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 86013148) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID86013148
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Cc1nc(N)sc1C(C)C
InChIInChI=1S/C10H18N2S/c1-6(2)5-8-9(7(3)4)13-10(11)12-8/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyZWXWDYWCRDMOIU-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine (CID 86013148) is 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine is CC(C)Cc1nc(N)sc1C(C)C.
What is the InChIKey of 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is ZWXWDYWCRDMOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-6(2)5-8-9(7(3)4)13-10(11)12-8/h6-7H,5H2,1-4H3,(H2,11,12).
What are the key properties of 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine?
4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 198.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 86013148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).