(3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

C14H24N2OS — CID 97108473

IUPAC(3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCc1nc(CN[C@H]2CC(C)(C)OC2(C)C)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-9-11(16-10(2)18-9)8-15-12-7-13(3,4)17-14(12,5)6/h12,15H,7-8H2,1-6H3/t12-/m0/s1
InChIKeyAFGCPSPQSVZVSN-LBPRGKRZSA-N
MW268.43 g/mol
LogP3.20
Rot. Bonds3

About (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

(3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 97108473) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID97108473
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name(3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCc1nc(CN[C@H]2CC(C)(C)OC2(C)C)c(C)s1
InChIInChI=1S/C14H24N2OS/c1-9-11(16-10(2)18-9)8-15-12-7-13(3,4)17-14(12,5)6/h12,15H,7-8H2,1-6H3/t12-/m0/s1
InChIKeyAFGCPSPQSVZVSN-LBPRGKRZSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 97108473) is (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is Cc1nc(CN[C@H]2CC(C)(C)OC2(C)C)c(C)s1.
What is the InChIKey of (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is AFGCPSPQSVZVSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-9-11(16-10(2)18-9)8-15-12-7-13(3,4)17-14(12,5)6/h12,15H,7-8H2,1-6H3/t12-/m0/s1.
What are the key properties of (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 268.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 97108473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).