2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid

C13H17N3O3S — CID 79851054

IUPAC2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2nc(C3CC3)cs2)CCC1
InChIInChI=1S/C13H17N3O3S/c17-10(18)6-13(4-1-5-13)16-11(19)15-12-14-9(7-20-12)8-2-3-8/h7-8H,1-6H2,(H,17,18)(H2,14,15,16,19)
InChIKeyIHYWOIOAZJNYPB-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid

2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid (PubChem CID 79851054) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid
PubChem CID79851054
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2nc(C3CC3)cs2)CCC1
InChIInChI=1S/C13H17N3O3S/c17-10(18)6-13(4-1-5-13)16-11(19)15-12-14-9(7-20-12)8-2-3-8/h7-8H,1-6H2,(H,17,18)(H2,14,15,16,19)
InChIKeyIHYWOIOAZJNYPB-UHFFFAOYSA-N
XLogP2.54
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64700681
1-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
CID 115448467
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586
2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817694
1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea
CID 136540282
1-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 54959029
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
CID 122246912
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 113237268
4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992179

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid (CID 79851054) is 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Nc2nc(C3CC3)cs2)CCC1.
What is the InChIKey of 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is IHYWOIOAZJNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-10(18)6-13(4-1-5-13)16-11(19)15-12-14-9(7-20-12)8-2-3-8/h7-8H,1-6H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid?
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 295.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).