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

C15H26N2S2 — CID 79947264

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
SMILESCc1nc(C2(NC(C)C)CSCC(C)(C)C2)sc1C
InChIInChI=1S/C15H26N2S2/c1-10(2)17-15(7-14(5,6)8-18-9-15)13-16-11(3)12(4)19-13/h10,17H,7-9H2,1-6H3
InChIKeyNZAZQASJRSGDCC-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.12
Rot. Bonds3

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

3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine (PubChem CID 79947264) has the molecular formula C15H26N2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
PubChem CID79947264
Molecular FormulaC15H26N2S2
Molecular Weight298.52 g/mol
Exact Mass298.15
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
SMILESCc1nc(C2(NC(C)C)CSCC(C)(C)C2)sc1C
InChIInChI=1S/C15H26N2S2/c1-10(2)17-15(7-14(5,6)8-18-9-15)13-16-11(3)12(4)19-13/h10,17H,7-9H2,1-6H3
InChIKeyNZAZQASJRSGDCC-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
CID 79947357
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
CID 79947622
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-ethyl-N-propan-2-ylcyclohexan-1-amine
CID 61334626
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64515722
N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine
CID 79946535
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylcyclobutan-1-amine
CID 61331332
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclobutan-1-amine
CID 61334037
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclohexan-1-amine
CID 107449614
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine
CID 65077839
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65085574
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 61333258
5,5-dimethyl-3-(propan-2-ylamino)thiane-3-carboxylic acid
CID 79946339

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine (CID 79947264) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine is Cc1nc(C2(NC(C)C)CSCC(C)(C)C2)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
The InChIKey is NZAZQASJRSGDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S2/c1-10(2)17-15(7-14(5,6)8-18-9-15)13-16-11(3)12(4)19-13/h10,17H,7-9H2,1-6H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine has a molecular weight of 298.52 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine is sourced from PubChem (CID 79947264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).