N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine

C14H22N2OS — CID 63332946

IUPACN-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
SMILESCC(C)NC1(c2nc3c(s2)CCCC3)CCOC1
InChIInChI=1S/C14H22N2OS/c1-10(2)16-14(7-8-17-9-14)13-15-11-5-3-4-6-12(11)18-13/h10,16H,3-9H2,1-2H3
InChIKeyCENVAVVQMAIAFJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.64
Rot. Bonds3

About N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine

N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine (PubChem CID 63332946) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
PubChem CID63332946
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
SMILESCC(C)NC1(c2nc3c(s2)CCCC3)CCOC1
InChIInChI=1S/C14H22N2OS/c1-10(2)16-14(7-8-17-9-14)13-15-11-5-3-4-6-12(11)18-13/h10,16H,3-9H2,1-2H3
InChIKeyCENVAVVQMAIAFJ-UHFFFAOYSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxepan-4-amine
CID 65079530
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine
CID 65079080
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-yloxolan-3-amine
CID 63332901
1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62974958
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
CID 79947622
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine
CID 65085678
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine
CID 106823162
N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine
CID 61330183
2,3-dimethyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 64754372
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethylcyclooctan-1-amine
CID 61332209
N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 103563952
N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 62541738

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The IUPAC name of N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine (CID 63332946) is N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine.
What is the SMILES notation for N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The canonical SMILES for N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine is CC(C)NC1(c2nc3c(s2)CCCC3)CCOC1.
What is the InChIKey of N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The InChIKey is CENVAVVQMAIAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)16-14(7-8-17-9-14)13-15-11-5-3-4-6-12(11)18-13/h10,16H,3-9H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine has a molecular weight of 266.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 63332946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).