2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid

C17H19N3O5S — CID 122067280

IUPAC2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCc1occc1C(=O)Nc1nc(CC(=O)N(C2CC2)C(C)C(=O)O)cs1
InChIInChI=1S/C17H19N3O5S/c1-9(16(23)24)20(12-3-4-12)14(21)7-11-8-26-17(18-11)19-15(22)13-5-6-25-10(13)2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,23,24)(H,18,19,22)
InChIKeyQKXLQKFYGFVLGQ-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.30
Rot. Bonds7

About 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid

2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (PubChem CID 122067280) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
PubChem CID122067280
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCc1occc1C(=O)Nc1nc(CC(=O)N(C2CC2)C(C)C(=O)O)cs1
InChIInChI=1S/C17H19N3O5S/c1-9(16(23)24)20(12-3-4-12)14(21)7-11-8-26-17(18-11)19-15(22)13-5-6-25-10(13)2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,23,24)(H,18,19,22)
InChIKeyQKXLQKFYGFVLGQ-UHFFFAOYSA-N
XLogP2.30
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid with MolForge

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Related Compounds

N-[4-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761500
2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119042005
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 119477021
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
2-methyl-N-[4-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47045235
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119491044
N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761776
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119603182
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51955538
2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119536067
2-methyl-N-[4-[2-[3-(methylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide;dihydrochloride
CID 119432117
N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119599066

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (CID 122067280) is 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is Cc1occc1C(=O)Nc1nc(CC(=O)N(C2CC2)C(C)C(=O)O)cs1.
What is the InChIKey of 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The InChIKey is QKXLQKFYGFVLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-9(16(23)24)20(12-3-4-12)14(21)7-11-8-26-17(18-11)19-15(22)13-5-6-25-10(13)2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,23,24)(H,18,19,22).
What are the key properties of 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid has a molecular weight of 377.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 122067280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).