4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C13H16N4O2S — CID 116667583

IUPAC4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCCC2)sc1C(=O)NCc1ccco1
InChIInChI=1S/C13H16N4O2S/c14-11-10(12(18)15-8-9-4-3-7-19-9)20-13(16-11)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8,14H2,(H,15,18)
InChIKeySMMUPQDSHAFPEG-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.85
Rot. Bonds4

About 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116667583) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116667583
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCCC2)sc1C(=O)NCc1ccco1
InChIInChI=1S/C13H16N4O2S/c14-11-10(12(18)15-8-9-4-3-7-19-9)20-13(16-11)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8,14H2,(H,15,18)
InChIKeySMMUPQDSHAFPEG-UHFFFAOYSA-N
XLogP1.85
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116671653
4-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664009
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106384366
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667453
2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
CID 116672202
4-amino-N-(5-amino-5-oxopentyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106242065
1-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 43815642
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 116667583) is 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is Nc1nc(N2CCCC2)sc1C(=O)NCc1ccco1.
What is the InChIKey of 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SMMUPQDSHAFPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-11-10(12(18)15-8-9-4-3-7-19-9)20-13(16-11)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8,14H2,(H,15,18).
What are the key properties of 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).