(5-propyl-1,3-thiazol-2-yl)carbamic acid

C7H10N2O2S — CID 22356139

IUPAC(5-propyl-1,3-thiazol-2-yl)carbamic acid
SMILESCCCc1cnc(NC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-2-3-5-4-8-6(12-5)9-7(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyNWNQXJMBFZUWCF-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.19
Rot. Bonds3

About (5-propyl-1,3-thiazol-2-yl)carbamic acid

(5-propyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 22356139) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is (5-propyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-propyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID22356139
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name(5-propyl-1,3-thiazol-2-yl)carbamic acid
SMILESCCCc1cnc(NC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-2-3-5-4-8-6(12-5)9-7(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyNWNQXJMBFZUWCF-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-propyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (5-propyl-1,3-thiazol-2-yl)carbamic acid (CID 22356139) is (5-propyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (5-propyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (5-propyl-1,3-thiazol-2-yl)carbamic acid is CCCc1cnc(NC(=O)O)s1.
What is the InChIKey of (5-propyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is NWNQXJMBFZUWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-5-4-8-6(12-5)9-7(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of (5-propyl-1,3-thiazol-2-yl)carbamic acid?
(5-propyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 186.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 22356139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).