[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone

C13H21N3OS — CID 124611583

IUPAC[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone
SMILESCCCc1nc(C)c(C(=O)N2CC[C@H](CN)C2)s1
InChIInChI=1S/C13H21N3OS/c1-3-4-11-15-9(2)12(18-11)13(17)16-6-5-10(7-14)8-16/h10H,3-8,14H2,1-2H3/t10-/m1/s1
InChIKeyNPMJJOUFPQRSFD-SNVBAGLBSA-N
MW267.40 g/mol
LogP1.82
Rot. Bonds4

About [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone

[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone (PubChem CID 124611583) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone
PubChem CID124611583
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone
SMILESCCCc1nc(C)c(C(=O)N2CC[C@H](CN)C2)s1
InChIInChI=1S/C13H21N3OS/c1-3-4-11-15-9(2)12(18-11)13(17)16-6-5-10(7-14)8-16/h10H,3-8,14H2,1-2H3/t10-/m1/s1
InChIKeyNPMJJOUFPQRSFD-SNVBAGLBSA-N
XLogP1.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone (CID 124611583) is [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone is CCCc1nc(C)c(C(=O)N2CC[C@H](CN)C2)s1.
What is the InChIKey of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone?
The InChIKey is NPMJJOUFPQRSFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-4-11-15-9(2)12(18-11)13(17)16-6-5-10(7-14)8-16/h10H,3-8,14H2,1-2H3/t10-/m1/s1.
What are the key properties of [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone?
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone has a molecular weight of 267.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-propyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124611583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).