propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate

C9H14N2O2S — CID 116654769

IUPACpropan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CNC(=O)OC(C)C)s1
InChIInChI=1S/C9H14N2O2S/c1-6(2)13-9(12)11-5-8-4-10-7(3)14-8/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyQOFMMGCDBYIANP-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.09
Rot. Bonds3

About propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate

propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (PubChem CID 116654769) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
PubChem CID116654769
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namepropan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CNC(=O)OC(C)C)s1
InChIInChI=1S/C9H14N2O2S/c1-6(2)13-9(12)11-5-8-4-10-7(3)14-8/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyQOFMMGCDBYIANP-UHFFFAOYSA-N
XLogP2.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-(1,3-thiazol-5-ylmethyl)carbamate
CID 116658029
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 60941068
dipropan-2-yl 2-[(2-methyl-1,3-thiazol-5-yl)methyl]propanedioate
CID 103972703
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 115747429
methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 60941784
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115604557
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 126988210

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (CID 116654769) is propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is Cc1ncc(CNC(=O)OC(C)C)s1.
What is the InChIKey of propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The InChIKey is QOFMMGCDBYIANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2)13-9(12)11-5-8-4-10-7(3)14-8/h4,6H,5H2,1-3H3,(H,11,12).
What are the key properties of propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate has a molecular weight of 214.29 g/mol, XLogP of 2.09, 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-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 116654769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).