propyl(1,3-thiazol-2-ylmethyl)carbamic acid

C8H12N2O2S — CID 69435143

IUPACpropyl(1,3-thiazol-2-ylmethyl)carbamic acid
SMILESCCCN(Cc1nccs1)C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-2-4-10(8(11)12)6-7-9-3-5-13-7/h3,5H,2,4,6H2,1H3,(H,11,12)
InChIKeyODOHTSLWGSORPA-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.03
Rot. Bonds4

About propyl(1,3-thiazol-2-ylmethyl)carbamic acid

propyl(1,3-thiazol-2-ylmethyl)carbamic acid (PubChem CID 69435143) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is propyl(1,3-thiazol-2-ylmethyl)carbamic acid.

Molecular Properties

Compound Namepropyl(1,3-thiazol-2-ylmethyl)carbamic acid
PubChem CID69435143
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namepropyl(1,3-thiazol-2-ylmethyl)carbamic acid
SMILESCCCN(Cc1nccs1)C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-2-4-10(8(11)12)6-7-9-3-5-13-7/h3,5H,2,4,6H2,1H3,(H,11,12)
InChIKeyODOHTSLWGSORPA-UHFFFAOYSA-N
XLogP2.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide
CID 168720733
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
(4-hydroxyphenyl)methyl-propylcarbamic acid
CID 69013096
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77094415
1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 162459036
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
CID 107440499
N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-ynamide
CID 130614901
2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 74245531
N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 42780816
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560

Frequently Asked Questions

What is the IUPAC name of propyl(1,3-thiazol-2-ylmethyl)carbamic acid?
The IUPAC name of propyl(1,3-thiazol-2-ylmethyl)carbamic acid (CID 69435143) is propyl(1,3-thiazol-2-ylmethyl)carbamic acid.
What is the SMILES notation for propyl(1,3-thiazol-2-ylmethyl)carbamic acid?
The canonical SMILES for propyl(1,3-thiazol-2-ylmethyl)carbamic acid is CCCN(Cc1nccs1)C(=O)O.
What is the InChIKey of propyl(1,3-thiazol-2-ylmethyl)carbamic acid?
The InChIKey is ODOHTSLWGSORPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-4-10(8(11)12)6-7-9-3-5-13-7/h3,5H,2,4,6H2,1H3,(H,11,12).
What are the key properties of propyl(1,3-thiazol-2-ylmethyl)carbamic acid?
propyl(1,3-thiazol-2-ylmethyl)carbamic acid has a molecular weight of 200.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl(1,3-thiazol-2-ylmethyl)carbamic acid is sourced from PubChem (CID 69435143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).