N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine

C15H24N2S2 — CID 107133309

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(NC2CC2)C2CCSC2)n1
InChIInChI=1S/C15H24N2S2/c1-15(2,3)12-9-19-14(17-12)13(16-11-4-5-11)10-6-7-18-8-10/h9-11,13,16H,4-8H2,1-3H3
InChIKeyALQALNUFUKPMME-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.99
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine (PubChem CID 107133309) has the molecular formula C15H24N2S2 and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine
PubChem CID107133309
Molecular FormulaC15H24N2S2
Molecular Weight296.50 g/mol
Exact Mass296.14
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(NC2CC2)C2CCSC2)n1
InChIInChI=1S/C15H24N2S2/c1-15(2,3)12-9-19-14(17-12)13(16-11-4-5-11)10-6-7-18-8-10/h9-11,13,16H,4-8H2,1-3H3
InChIKeyALQALNUFUKPMME-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine (CID 107133309) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine is CC(C)(C)c1csc(C(NC2CC2)C2CCSC2)n1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine?
The InChIKey is ALQALNUFUKPMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S2/c1-15(2,3)12-9-19-14(17-12)13(16-11-4-5-11)10-6-7-18-8-10/h9-11,13,16H,4-8H2,1-3H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine has a molecular weight of 296.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 107133309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).