2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole

C10H16ClNS — CID 114868702

IUPAC2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)Cc1nc(Cl)sc1C(C)C
InChIInChI=1S/C10H16ClNS/c1-6(2)5-8-9(7(3)4)13-10(11)12-8/h6-7H,5H2,1-4H3
InChIKeyZAYPKEVJTDSDMM-UHFFFAOYSA-N
MW217.76 g/mol
LogP4.12
Rot. Bonds3

About 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole

2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 114868702) has the molecular formula C10H16ClNS and a molecular weight of 217.76 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole
PubChem CID114868702
Molecular FormulaC10H16ClNS
Molecular Weight217.76 g/mol
Exact Mass217.07
IUPAC Name2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)Cc1nc(Cl)sc1C(C)C
InChIInChI=1S/C10H16ClNS/c1-6(2)5-8-9(7(3)4)13-10(11)12-8/h6-7H,5H2,1-4H3
InChIKeyZAYPKEVJTDSDMM-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.76
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole (CID 114868702) is 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole is CC(C)Cc1nc(Cl)sc1C(C)C.
What is the InChIKey of 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is ZAYPKEVJTDSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS/c1-6(2)5-8-9(7(3)4)13-10(11)12-8/h6-7H,5H2,1-4H3.
What are the key properties of 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole?
2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 217.76 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 114868702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).