propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate

C10H14N2O2S — CID 116654745

IUPACpropan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)OC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H14N2O2S/c1-6(2)14-10(13)12-9-11-8(5-15-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyAPWVNHHGYGXFOU-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.98
Rot. Bonds3

About propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate

propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate (PubChem CID 116654745) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
PubChem CID116654745
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namepropan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)OC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H14N2O2S/c1-6(2)14-10(13)12-9-11-8(5-15-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyAPWVNHHGYGXFOU-UHFFFAOYSA-N
XLogP2.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 60741010
ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
CID 4402167
1-[4-[(2S)-butan-2-yl]-1,3-thiazol-2-yl]-3-(3-methoxypropyl)urea
CID 97095818
tert-butyl N-[4-(1-fluoro-4-oxopentan-3-yl)-1,3-thiazol-2-yl]carbamate
CID 58126696
ethyl (2S)-2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
CID 7282736
ethyl (2R)-2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
CID 7282737
2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
CID 50989391
2,2,2-trifluoroethyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate
CID 61777499
2,2,2-trifluoroethyl N-[4-(propan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 61777908
Carbamic acid, [4-(1,1-dimethylethyl)-2-thiazolyl]-, methyl ester
CID 1244081
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylsulfanylpropanamide
CID 32869202
2-methylpropyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate
CID 13470691

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate (CID 116654745) is propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate is CC(C)OC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is APWVNHHGYGXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6(2)14-10(13)12-9-11-8(5-15-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 226.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 116654745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).