5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine

C11H18N2S2 — CID 79949785

IUPAC5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
SMILESCCCNC1(c2nccs2)CSC(C)C1
InChIInChI=1S/C11H18N2S2/c1-3-4-13-11(7-9(2)15-8-11)10-12-5-6-14-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyVWZZUVYALVWDAX-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.86
Rot. Bonds4

About 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine

5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine (PubChem CID 79949785) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
PubChem CID79949785
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
SMILESCCCNC1(c2nccs2)CSC(C)C1
InChIInChI=1S/C11H18N2S2/c1-3-4-13-11(7-9(2)15-8-11)10-12-5-6-14-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyVWZZUVYALVWDAX-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine
CID 79950253
N-propyl-3-(1,3-thiazol-2-yl)oxolan-3-amine
CID 63333466
4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086080
4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086079
4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 63405391
1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
CID 63166254
2,2-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 79846998
N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563902
3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64514523
N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296
4-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62542779

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine (CID 79949785) is 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine is CCCNC1(c2nccs2)CSC(C)C1.
What is the InChIKey of 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
The InChIKey is VWZZUVYALVWDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-3-4-13-11(7-9(2)15-8-11)10-12-5-6-14-10/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine?
5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine is sourced from PubChem (CID 79949785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).