1,2-thiazol-3-yl(thiolan-2-yl)methanamine

C8H12N2S2 — CID 130640950

IUPAC1,2-thiazol-3-yl(thiolan-2-yl)methanamine
SMILESNC(c1ccsn1)C1CCCS1
InChIInChI=1S/C8H12N2S2/c9-8(6-3-5-12-10-6)7-2-1-4-11-7/h3,5,7-8H,1-2,4,9H2
InChIKeyVVFWPSQHXJRUSY-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.04
Rot. Bonds2

About 1,2-thiazol-3-yl(thiolan-2-yl)methanamine

1,2-thiazol-3-yl(thiolan-2-yl)methanamine (PubChem CID 130640950) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,2-thiazol-3-yl(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name1,2-thiazol-3-yl(thiolan-2-yl)methanamine
PubChem CID130640950
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name1,2-thiazol-3-yl(thiolan-2-yl)methanamine
SMILESNC(c1ccsn1)C1CCCS1
InChIInChI=1S/C8H12N2S2/c9-8(6-3-5-12-10-6)7-2-1-4-11-7/h3,5,7-8H,1-2,4,9H2
InChIKeyVVFWPSQHXJRUSY-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

thian-2-yl(1,2-thiazol-3-yl)methanamine
CID 130658178
1,3-thiazol-4-yl(thiolan-2-yl)methanamine
CID 130639849
(S)-(5-methylfuran-2-yl)-(thiolan-2-yl)methanamine
CID 121460240
2-cyclohexyl-1-(1,2-thiazol-3-yl)ethanamine
CID 131017327
quinolin-5-yl(thiolan-2-yl)methanamine
CID 81224263
thiolan-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 80622365
(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine
CID 80623174
(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine
CID 80621764
naphthalen-2-yl(thiolan-2-yl)methanamine
CID 80623183
thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783553
thiolan-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 80621510
quinolin-3-yl(thiolan-2-yl)methanamine
CID 80622472

Frequently Asked Questions

What is the IUPAC name of 1,2-thiazol-3-yl(thiolan-2-yl)methanamine?
The IUPAC name of 1,2-thiazol-3-yl(thiolan-2-yl)methanamine (CID 130640950) is 1,2-thiazol-3-yl(thiolan-2-yl)methanamine.
What is the SMILES notation for 1,2-thiazol-3-yl(thiolan-2-yl)methanamine?
The canonical SMILES for 1,2-thiazol-3-yl(thiolan-2-yl)methanamine is NC(c1ccsn1)C1CCCS1.
What is the InChIKey of 1,2-thiazol-3-yl(thiolan-2-yl)methanamine?
The InChIKey is VVFWPSQHXJRUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c9-8(6-3-5-12-10-6)7-2-1-4-11-7/h3,5,7-8H,1-2,4,9H2.
What are the key properties of 1,2-thiazol-3-yl(thiolan-2-yl)methanamine?
1,2-thiazol-3-yl(thiolan-2-yl)methanamine has a molecular weight of 200.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-3-yl(thiolan-2-yl)methanamine is sourced from PubChem (CID 130640950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).