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

C9H14N2O2S — CID 110728086

IUPACmethyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
SMILESCOC(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C9H14N2O2S/c1-6(2)8-11-7(5-14-8)4-10-9(12)13-3/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyZKHCVCOLTFPHMD-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.12
Rot. Bonds3

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

methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate (PubChem CID 110728086) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
PubChem CID110728086
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namemethyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
SMILESCOC(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C9H14N2O2S/c1-6(2)8-11-7(5-14-8)4-10-9(12)13-3/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyZKHCVCOLTFPHMD-UHFFFAOYSA-N
XLogP2.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728064
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
2-aminoacetic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11637350
2-(2-methoxyphenoxy)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728083
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 110728045
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate?
The IUPAC name of methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate (CID 110728086) is methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate is COC(=O)NCc1csc(C(C)C)n1.
What is the InChIKey of methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate?
The InChIKey is ZKHCVCOLTFPHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2)8-11-7(5-14-8)4-10-9(12)13-3/h5-6H,4H2,1-3H3,(H,10,12).
What are the key properties of methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate?
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate has a molecular weight of 214.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate is sourced from PubChem (CID 110728086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).