2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine

C9H15N3S — CID 28710820

IUPAC2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(N2CCCC2)n1
InChIInChI=1S/C9H15N3S/c10-4-3-8-7-13-9(11-8)12-5-1-2-6-12/h7H,1-6,10H2
InChIKeyYJQMXQDBUPFSBV-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.24
Rot. Bonds3

About 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine

2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 28710820) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID28710820
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(N2CCCC2)n1
InChIInChI=1S/C9H15N3S/c10-4-3-8-7-13-9(11-8)12-5-1-2-6-12/h7H,1-6,10H2
InChIKeyYJQMXQDBUPFSBV-UHFFFAOYSA-N
XLogP1.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 10964631
4-Methyl-2-(pyrrolidin-1-yl)-1,3-thiazole
CID 2513439
4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 15017654
4-(2-Aminoethyl)-1,3-thiazol-2-amine dihydrochloride
CID 71685850
2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide
CID 53625379
2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentane-1-sulfonamide
CID 53625428
3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butane-1-sulfonamide
CID 56793244
1-Ethyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 71994522
2-tert-butylsulfanyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 72010286
N,N,4-triethyl-1,3-thiazol-2-amine
CID 12787020
4-(2-(Dimethylamino)ethyl)thiazol-2-amine
CID 13637177
2-Isopropylamino-4-ethylthiazole
CID 58336980

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine (CID 28710820) is 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine is NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is YJQMXQDBUPFSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-4-3-8-7-13-9(11-8)12-5-1-2-6-12/h7H,1-6,10H2.
What are the key properties of 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine?
2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 197.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 28710820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).