N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine

C13H20N2OS — CID 82717311

IUPACN-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine
SMILESCc1nc(C2(NC3CC3)CCOC2C)sc1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-12(14-8)13(15-11-4-5-11)6-7-16-10(13)3/h10-11,15H,4-7H2,1-3H3
InChIKeyZEKFVAQRCPOAKX-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.52
Rot. Bonds3

About N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine

N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine (PubChem CID 82717311) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine
PubChem CID82717311
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine
SMILESCc1nc(C2(NC3CC3)CCOC2C)sc1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-12(14-8)13(15-11-4-5-11)6-7-16-10(13)3/h10-11,15H,4-7H2,1-3H3
InChIKeyZEKFVAQRCPOAKX-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine?
The IUPAC name of N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine (CID 82717311) is N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine?
The canonical SMILES for N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine is Cc1nc(C2(NC3CC3)CCOC2C)sc1C.
What is the InChIKey of N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine?
The InChIKey is ZEKFVAQRCPOAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-9(2)17-12(14-8)13(15-11-4-5-11)6-7-16-10(13)3/h10-11,15H,4-7H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine?
N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine has a molecular weight of 252.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyloxolan-3-amine is sourced from PubChem (CID 82717311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).