N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

C16H22N4O2S — CID 70785330

IUPACN-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCNc1nc(CN2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-10-4-5-15(22-10)13-7-20(8-14(13)18-11(2)21)6-12-9-23-16(17-3)19-12/h4-5,9,13-14H,6-8H2,1-3H3,(H,17,19)(H,18,21)/t13-,14-/m1/s1
InChIKeyGGKUHQZZTUOQJW-ZIAGYGMSSA-N
MW334.45 g/mol
LogP2.19
Rot. Bonds5

About N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70785330) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID70785330
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCNc1nc(CN2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-10-4-5-15(22-10)13-7-20(8-14(13)18-11(2)21)6-12-9-23-16(17-3)19-12/h4-5,9,13-14H,6-8H2,1-3H3,(H,17,19)(H,18,21)/t13-,14-/m1/s1
InChIKeyGGKUHQZZTUOQJW-ZIAGYGMSSA-N
XLogP2.19
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-phenylfuran-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30182510
2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 51079655
N-[(3S*,4R*)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70723311
2-[(3S*,4R*)-3-(acetylamino)-4-(5-methyl-2-furyl)-1-pyrrolidinyl]-1,3-thiazole-4-carboxamide
CID 70777145
2-acetamido-N-[1-(furan-2-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 45816340
3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one
CID 164641689
(2S)-2-amino-3-(5-fluoro-3-methylfuran-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 56968023
N-[4-[(4-acetylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559934
N-[4-(diethylaminomethyl)-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559951
N-[4-[4-(dimethylamino)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559955
2-methyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559963
N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559964

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 70785330) is N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is CNc1nc(CN2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)cs1.
What is the InChIKey of N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is GGKUHQZZTUOQJW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-10-4-5-15(22-10)13-7-20(8-14(13)18-11(2)21)6-12-9-23-16(17-3)19-12/h4-5,9,13-14H,6-8H2,1-3H3,(H,17,19)(H,18,21)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 334.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70785330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).