(1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine

C16H21N3S2 — CID 97251259

IUPAC(1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
SMILESC[C@@H](NCCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2
InChIInChI=1S/C16H21N3S2/c1-10(16-19-12-3-2-4-14(12)21-16)17-8-7-15-18-13(9-20-15)11-5-6-11/h9-11,17H,2-8H2,1H3/t10-/m1/s1
InChIKeyKUTJZVFQMVZUKS-SNVBAGLBSA-N
MW319.50 g/mol
LogP3.86
Rot. Bonds6

About (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine

(1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine (PubChem CID 97251259) has the molecular formula C16H21N3S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
PubChem CID97251259
Molecular FormulaC16H21N3S2
Molecular Weight319.50 g/mol
Exact Mass319.12
IUPAC Name(1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
SMILESC[C@@H](NCCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2
InChIInChI=1S/C16H21N3S2/c1-10(16-19-12-3-2-4-14(12)21-16)17-8-7-15-18-13(9-20-15)11-5-6-11/h9-11,17H,2-8H2,1H3/t10-/m1/s1
InChIKeyKUTJZVFQMVZUKS-SNVBAGLBSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine?
The IUPAC name of (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine (CID 97251259) is (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine is C[C@@H](NCCc1nc(C2CC2)cs1)c1nc2c(s1)CCC2.
What is the InChIKey of (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine?
The InChIKey is KUTJZVFQMVZUKS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21N3S2/c1-10(16-19-12-3-2-4-14(12)21-16)17-8-7-15-18-13(9-20-15)11-5-6-11/h9-11,17H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine?
(1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine has a molecular weight of 319.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine is sourced from PubChem (CID 97251259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).