2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

C13H21N3OS — CID 112699088

IUPAC2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ncsc1C(C)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H21N3OS/c1-9-12(18-8-14-9)10(2)15-11(3)13(17)16-6-4-5-7-16/h8,10-11,15H,4-7H2,1-3H3
InChIKeyZGRPIDUVUUSXEV-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.11
Rot. Bonds4

About 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 112699088) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID112699088
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ncsc1C(C)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H21N3OS/c1-9-12(18-8-14-9)10(2)15-11(3)13(17)16-6-4-5-7-16/h8,10-11,15H,4-7H2,1-3H3
InChIKeyZGRPIDUVUUSXEV-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
CID 43397992
2-(1-pyrazin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 112551234
1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one
CID 78961619
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid
CID 21298330
methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
CID 43787224
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
CID 43401218
1-cyclopropyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 43791348
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 81383277
2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 112551286

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 112699088) is 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is Cc1ncsc1C(C)NC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZGRPIDUVUUSXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-12(18-8-14-9)10(2)15-11(3)13(17)16-6-4-5-7-16/h8,10-11,15H,4-7H2,1-3H3.
What are the key properties of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 267.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 112699088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).