(3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine

C14H23N3S — CID 72846255

IUPAC(3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1csc(CN2C[C@H](C3CC3)[C@@H](N)C2)n1
InChIInChI=1S/C14H23N3S/c1-9(2)13-8-18-14(16-13)7-17-5-11(10-3-4-10)12(15)6-17/h8-12H,3-7,15H2,1-2H3/t11-,12+/m1/s1
InChIKeyRSGBQTYWZWWUSY-NEPJUHHUSA-N
MW265.43 g/mol
LogP2.44
Rot. Bonds4

About (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 72846255) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID72846255
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name(3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1csc(CN2C[C@H](C3CC3)[C@@H](N)C2)n1
InChIInChI=1S/C14H23N3S/c1-9(2)13-8-18-14(16-13)7-17-5-11(10-3-4-10)12(15)6-17/h8-12H,3-7,15H2,1-2H3/t11-,12+/m1/s1
InChIKeyRSGBQTYWZWWUSY-NEPJUHHUSA-N
XLogP2.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine (CID 72846255) is (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine is CC(C)c1csc(CN2C[C@H](C3CC3)[C@@H](N)C2)n1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is RSGBQTYWZWWUSY-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23N3S/c1-9(2)13-8-18-14(16-13)7-17-5-11(10-3-4-10)12(15)6-17/h8-12H,3-7,15H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 265.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 72846255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).