tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate

C9H15N3O2S — CID 130992862

IUPACtert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate
SMILESCc1nnsc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H15N3O2S/c1-6-7(15-12-11-6)5-10-8(13)14-9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyKEDHFKSRRNLPRX-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.87
Rot. Bonds2

About tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate

tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate (PubChem CID 130992862) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate
PubChem CID130992862
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Nametert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate
SMILESCc1nnsc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H15N3O2S/c1-6-7(15-12-11-6)5-10-8(13)14-9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyKEDHFKSRRNLPRX-UHFFFAOYSA-N
XLogP1.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
tert-butyl N-[[4-(dihydroxymethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 146639722
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
CID 23404363
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid
CID 126689942
ethyl 4,5-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-3-carboxylate
CID 146205474
tert-butyl N-[(5-fluoropyrimidin-2-yl)methyl]carbamate;(5-fluoropyrimidin-2-yl)methanamine;hydrochloride
CID 162004917
4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 154853416
tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 165033228
tert-butyl N-[[2,4,6-trimethoxy-3,5-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 102224062
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate (CID 130992862) is tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate is Cc1nnsc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate?
The InChIKey is KEDHFKSRRNLPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-7(15-12-11-6)5-10-8(13)14-9(2,3)4/h5H2,1-4H3,(H,10,13).
What are the key properties of tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate?
tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate has a molecular weight of 229.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 130992862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).