4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine

C12H17N3S2 — CID 82425564

IUPAC4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1nc(C)c(-c2csc(NC(C)C)n2)s1
InChIInChI=1S/C12H17N3S2/c1-5-10-14-8(4)11(17-10)9-6-16-12(15-9)13-7(2)3/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyWUGMBMIMDRIROT-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.96
Rot. Bonds4

About 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine

4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82425564) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82425564
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1nc(C)c(-c2csc(NC(C)C)n2)s1
InChIInChI=1S/C12H17N3S2/c1-5-10-14-8(4)11(17-10)9-6-16-12(15-9)13-7(2)3/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyWUGMBMIMDRIROT-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 82425564) is 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine is CCc1nc(C)c(-c2csc(NC(C)C)n2)s1.
What is the InChIKey of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is WUGMBMIMDRIROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-5-10-14-8(4)11(17-10)9-6-16-12(15-9)13-7(2)3/h6-7H,5H2,1-4H3,(H,13,15).
What are the key properties of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82425564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).