3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid

C12H16N2O4S — CID 165452073

IUPAC3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1snc(C2CC2)c1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)13-9-7(10(15)16)8(14-19-9)6-4-5-6/h6H,4-5H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyHQNIGEMJGVRQPB-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.07
Rot. Bonds3

About 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid

3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid (PubChem CID 165452073) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid
PubChem CID165452073
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1snc(C2CC2)c1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)13-9-7(10(15)16)8(14-19-9)6-4-5-6/h6H,4-5H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyHQNIGEMJGVRQPB-UHFFFAOYSA-N
XLogP3.07
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
CID 125454593
tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
CID 19100804
tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate
CID 155375435
(5S)-2-(cyclopropanecarbonylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 146278847
tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate
CID 146254523
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)thiophene-3-carboxylic acid
CID 19100734
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylthiophene-3-carboxylic acid
CID 59373270
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid
CID 175654041
tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate
CID 75425993
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-3-carboxylic acid
CID 46941677
tert-butyl N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133380890

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid (CID 165452073) is 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid is CC(C)(C)OC(=O)Nc1snc(C2CC2)c1C(=O)O.
What is the InChIKey of 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is HQNIGEMJGVRQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)13-9-7(10(15)16)8(14-19-9)6-4-5-6/h6H,4-5H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid?
3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 165452073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).