methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate

C8H12N2O2S — CID 58913263

IUPACmethyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C8H12N2O2S/c1-5(2)6-4-13-7(9-6)10-8(11)12-3/h4-5H,1-3H3,(H,9,10,11)
InChIKeyKVQKGROVADHVIX-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.44
Rot. Bonds2

About methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate

methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate (PubChem CID 58913263) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
PubChem CID58913263
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C8H12N2O2S/c1-5(2)6-4-13-7(9-6)10-8(11)12-3/h4-5H,1-3H3,(H,9,10,11)
InChIKeyKVQKGROVADHVIX-UHFFFAOYSA-N
XLogP2.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
3-amino-2,2,3-trimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 65270029
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530
2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
CID 86670247
(6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 139547985
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide
CID 54959134
3-methoxy-4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 103158887

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate (CID 58913263) is methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate is COC(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
The InChIKey is KVQKGROVADHVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(2)6-4-13-7(9-6)10-8(11)12-3/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate has a molecular weight of 200.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 58913263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).