propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate

C8H12N2O2S — CID 116658029

IUPACpropan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCc1cncs1
InChIInChI=1S/C8H12N2O2S/c1-6(2)12-8(11)10-4-7-3-9-5-13-7/h3,5-6H,4H2,1-2H3,(H,10,11)
InChIKeyPAEFAGADGZXNSQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.78
Rot. Bonds3

About propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate

propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate (PubChem CID 116658029) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate
PubChem CID116658029
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namepropan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCc1cncs1
InChIInChI=1S/C8H12N2O2S/c1-6(2)12-8(11)10-4-7-3-9-5-13-7/h3,5-6H,4H2,1-2H3,(H,10,11)
InChIKeyPAEFAGADGZXNSQ-UHFFFAOYSA-N
XLogP1.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 104579074
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
(2R)-2-(1,3-thiazol-5-ylmethylcarbamoylamino)propanoic acid
CID 104874293
2-hydroxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 130927920
1,3-thiazol-5-ylmethyl N-ethylcarbamate
CID 123862472
tert-butyl N-[[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244246
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
tert-butyl N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 115732318
ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
CID 104589369
3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104583444
N-(1,3-thiazol-5-ylmethyl)hydroxylamine
CID 82687431
4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391406

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate?
The IUPAC name of propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate (CID 116658029) is propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate?
The canonical SMILES for propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate is CC(C)OC(=O)NCc1cncs1.
What is the InChIKey of propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate?
The InChIKey is PAEFAGADGZXNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(2)12-8(11)10-4-7-3-9-5-13-7/h3,5-6H,4H2,1-2H3,(H,10,11).
What are the key properties of propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate?
propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate has a molecular weight of 200.26 g/mol, XLogP of 1.78, 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-(1,3-thiazol-5-ylmethyl)carbamate is sourced from PubChem (CID 116658029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).