(4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid

C7H8N2O2S — CID 87757618

IUPAC(4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid
SMILESO=C(O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C7H8N2O2S/c10-7(11)9-6-8-5(3-12-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyOMWULHKKHFHNTH-UHFFFAOYSA-N
MW184.22 g/mol
LogP2.11
Rot. Bonds2

About (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid

(4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 87757618) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID87757618
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name(4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid
SMILESO=C(O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C7H8N2O2S/c10-7(11)9-6-8-5(3-12-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyOMWULHKKHFHNTH-UHFFFAOYSA-N
XLogP2.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid (CID 87757618) is (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid is O=C(O)Nc1nc(C2CC2)cs1.
What is the InChIKey of (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is OMWULHKKHFHNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c10-7(11)9-6-8-5(3-12-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11).
What are the key properties of (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid?
(4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 184.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 87757618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).