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

C5H6N2O2S — CID 87277603

IUPAC(4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1csc(NC(=O)O)n1
InChIInChI=1S/C5H6N2O2S/c1-3-2-10-4(6-3)7-5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyUIKIVPSKTFEGIM-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.54
Rot. Bonds1

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

(4-methyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 87277603) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID87277603
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name(4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1csc(NC(=O)O)n1
InChIInChI=1S/C5H6N2O2S/c1-3-2-10-4(6-3)7-5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyUIKIVPSKTFEGIM-UHFFFAOYSA-N
XLogP1.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (4-methyl-1,3-thiazol-2-yl)carbamic acid (CID 87277603) is (4-methyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (4-methyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (4-methyl-1,3-thiazol-2-yl)carbamic acid is Cc1csc(NC(=O)O)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is UIKIVPSKTFEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-3-2-10-4(6-3)7-5(8)9/h2H,1H3,(H,6,7)(H,8,9).
What are the key properties of (4-methyl-1,3-thiazol-2-yl)carbamic acid?
(4-methyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 158.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 87277603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).