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

C11H18N2S2 — CID 107133271

IUPAC(4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine
SMILESCC(C)c1csc(C(N)C2CCSC2)n1
InChIInChI=1S/C11H18N2S2/c1-7(2)9-6-15-11(13-9)10(12)8-3-4-14-5-8/h6-8,10H,3-5,12H2,1-2H3
InChIKeyMHQHOSFAELXOSQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.02
Rot. Bonds3

About (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine

(4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine (PubChem CID 107133271) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine
PubChem CID107133271
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name(4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine
SMILESCC(C)c1csc(C(N)C2CCSC2)n1
InChIInChI=1S/C11H18N2S2/c1-7(2)9-6-15-11(13-9)10(12)8-3-4-14-5-8/h6-8,10H,3-5,12H2,1-2H3
InChIKeyMHQHOSFAELXOSQ-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine?
The IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine (CID 107133271) is (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine.
What is the SMILES notation for (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine?
The canonical SMILES for (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine is CC(C)c1csc(C(N)C2CCSC2)n1.
What is the InChIKey of (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine?
The InChIKey is MHQHOSFAELXOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-7(2)9-6-15-11(13-9)10(12)8-3-4-14-5-8/h6-8,10H,3-5,12H2,1-2H3.
What are the key properties of (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine?
(4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine has a molecular weight of 242.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1,3-thiazol-2-yl)-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107133271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).