2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

C16H21N5OS — CID 120641088

IUPAC2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ccnc(N3CCCC3)c2)cs1
InChIInChI=1S/C16H21N5OS/c17-5-3-15-20-13(11-23-15)16(22)19-10-12-4-6-18-14(9-12)21-7-1-2-8-21/h4,6,9,11H,1-3,5,7-8,10,17H2,(H,19,22)
InChIKeyCLHYUIJTSRLQAJ-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.57
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120641088) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID120641088
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ccnc(N3CCCC3)c2)cs1
InChIInChI=1S/C16H21N5OS/c17-5-3-15-20-13(11-23-15)16(22)19-10-12-4-6-18-14(9-12)21-7-1-2-8-21/h4,6,9,11H,1-3,5,7-8,10,17H2,(H,19,22)
InChIKeyCLHYUIJTSRLQAJ-UHFFFAOYSA-N
XLogP1.57
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 120641687
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
2-(2-aminoethyl)-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120624899
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 37311675
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 87005232
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223
5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 37313292
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2-(2-aminoethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389365
2-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615950

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 120641088) is 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCc2ccnc(N3CCCC3)c2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CLHYUIJTSRLQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c17-5-3-15-20-13(11-23-15)16(22)19-10-12-4-6-18-14(9-12)21-7-1-2-8-21/h4,6,9,11H,1-3,5,7-8,10,17H2,(H,19,22).
What are the key properties of 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120641088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).