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

C17H27N3S — CID 62974958

IUPAC1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine
SMILESCC(C)NC1(c2nc3c(s2)CCCC3)CCN(C2CC2)C1
InChIInChI=1S/C17H27N3S/c1-12(2)19-17(9-10-20(11-17)13-7-8-13)16-18-14-5-3-4-6-15(14)21-16/h12-13,19H,3-11H2,1-2H3
InChIKeyAXFIOGZIFKOSNJ-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.08
Rot. Bonds4

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

1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine (PubChem CID 62974958) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine
PubChem CID62974958
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine
SMILESCC(C)NC1(c2nc3c(s2)CCCC3)CCN(C2CC2)C1
InChIInChI=1S/C17H27N3S/c1-12(2)19-17(9-10-20(11-17)13-7-8-13)16-18-14-5-3-4-6-15(14)21-16/h12-13,19H,3-11H2,1-2H3
InChIKeyAXFIOGZIFKOSNJ-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
CID 63332946
N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine
CID 61330183
N-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxepan-4-amine
CID 65079530
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine
CID 65085678
2,3-dimethyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 64754372
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61335769
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine
CID 106823162
N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 103563952
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
CID 79947622
N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 62541738
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethylcyclooctan-1-amine
CID 61332209
N-cyclopropyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61335863

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine (CID 62974958) is 1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine is CC(C)NC1(c2nc3c(s2)CCCC3)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine?
The InChIKey is AXFIOGZIFKOSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-12(2)19-17(9-10-20(11-17)13-7-8-13)16-18-14-5-3-4-6-15(14)21-16/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine?
1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine has a molecular weight of 305.49 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 62974958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).