N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine

C13H20N2OS — CID 114240650

IUPACN-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine
SMILESCc1csc(C2(NC3CC3)CCOCC2C)n1
InChIInChI=1S/C13H20N2OS/c1-9-7-16-6-5-13(9,15-11-3-4-11)12-14-10(2)8-17-12/h8-9,11,15H,3-7H2,1-2H3
InChIKeySGRIOJXGGXDRIB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.46
Rot. Bonds3

About N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine

N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine (PubChem CID 114240650) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine
PubChem CID114240650
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine
SMILESCc1csc(C2(NC3CC3)CCOCC2C)n1
InChIInChI=1S/C13H20N2OS/c1-9-7-16-6-5-13(9,15-11-3-4-11)12-14-10(2)8-17-12/h8-9,11,15H,3-7H2,1-2H3
InChIKeySGRIOJXGGXDRIB-UHFFFAOYSA-N
XLogP2.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61335254
N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine
CID 82717309
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 61333826
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,4-dimethylcyclohexan-1-amine
CID 64755800
N-cyclopropyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115419524
N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65074762
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 61335833
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 65050193
N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine
CID 82717311
methyl 4-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzoate
CID 170068398
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,5-dimethylcyclohexan-1-amine
CID 64755801
2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole
CID 170068372

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine?
The IUPAC name of N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine (CID 114240650) is N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine.
What is the SMILES notation for N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine?
The canonical SMILES for N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine is Cc1csc(C2(NC3CC3)CCOCC2C)n1.
What is the InChIKey of N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine?
The InChIKey is SGRIOJXGGXDRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-7-16-6-5-13(9,15-11-3-4-11)12-14-10(2)8-17-12/h8-9,11,15H,3-7H2,1-2H3.
What are the key properties of N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine?
N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine has a molecular weight of 252.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine is sourced from PubChem (CID 114240650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).