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

C16H28N2S2 — CID 79947357

IUPAC3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
SMILESCCc1nc(C2(NC(C)C)CSCC(C)(C)C2)sc1C
InChIInChI=1S/C16H28N2S2/c1-7-13-12(4)20-14(17-13)16(18-11(2)3)8-15(5,6)9-19-10-16/h11,18H,7-10H2,1-6H3
InChIKeyUQCCOEBLBSZPAW-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.37
Rot. Bonds4

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

3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine (PubChem CID 79947357) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine.

Molecular Properties

Compound Name3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
PubChem CID79947357
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC Name3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
SMILESCCc1nc(C2(NC(C)C)CSCC(C)(C)C2)sc1C
InChIInChI=1S/C16H28N2S2/c1-7-13-12(4)20-14(17-13)16(18-11(2)3)8-15(5,6)9-19-10-16/h11,18H,7-10H2,1-6H3
InChIKeyUQCCOEBLBSZPAW-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
The IUPAC name of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine (CID 79947357) is 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine.
What is the SMILES notation for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
The canonical SMILES for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine is CCc1nc(C2(NC(C)C)CSCC(C)(C)C2)sc1C.
What is the InChIKey of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
The InChIKey is UQCCOEBLBSZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-7-13-12(4)20-14(17-13)16(18-11(2)3)8-15(5,6)9-19-10-16/h11,18H,7-10H2,1-6H3.
What are the key properties of 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine has a molecular weight of 312.55 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine is sourced from PubChem (CID 79947357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).