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

C9H14N2O2S — CID 88879393

IUPAC(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1nc(NC(=O)O)sc1C(C)(C)C
InChIInChI=1S/C9H14N2O2S/c1-5-6(9(2,3)4)14-7(10-5)11-8(12)13/h1-4H3,(H,10,11)(H,12,13)
InChIKeyGCNSBLBGBDKSSJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.84
Rot. Bonds1

About (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid

(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 88879393) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID88879393
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1nc(NC(=O)O)sc1C(C)(C)C
InChIInChI=1S/C9H14N2O2S/c1-5-6(9(2,3)4)14-7(10-5)11-8(12)13/h1-4H3,(H,10,11)(H,12,13)
InChIKeyGCNSBLBGBDKSSJ-UHFFFAOYSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid (CID 88879393) is (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid is Cc1nc(NC(=O)O)sc1C(C)(C)C.
What is the InChIKey of (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is GCNSBLBGBDKSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5-6(9(2,3)4)14-7(10-5)11-8(12)13/h1-4H3,(H,10,11)(H,12,13).
What are the key properties of (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid?
(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 214.29 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-4-methyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 88879393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).