tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate

C13H18N4O2S — CID 126719888

IUPACtert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCn1ccc(-c2ncc(CNC(=O)OC(C)(C)C)s2)n1
InChIInChI=1S/C13H18N4O2S/c1-13(2,3)19-12(18)15-8-9-7-14-11(20-9)10-5-6-17(4)16-10/h5-7H,8H2,1-4H3,(H,15,18)
InChIKeyIPASGIAHDCFBQD-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.57
Rot. Bonds3

About tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate

tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate (PubChem CID 126719888) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
PubChem CID126719888
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Nametert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCn1ccc(-c2ncc(CNC(=O)OC(C)(C)C)s2)n1
InChIInChI=1S/C13H18N4O2S/c1-13(2,3)19-12(18)15-8-9-7-14-11(20-9)10-5-6-17(4)16-10/h5-7H,8H2,1-4H3,(H,15,18)
InChIKeyIPASGIAHDCFBQD-UHFFFAOYSA-N
XLogP2.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 158874937
tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719795
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
tert-butyl N-[[2-[4-[4-(diethylamino)butyl]phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719487
tert-butyl N-[[2-[4-(4-aminobutoxy)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719862
tert-butyl N-[[2-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719799
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 65198189
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 167276246
tert-butyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 78943314
tert-butyl N-[[5-amino-4-(furan-3-yl)-2-pyridinyl]methyl]carbamate
CID 177357457

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate (CID 126719888) is tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate is Cn1ccc(-c2ncc(CNC(=O)OC(C)(C)C)s2)n1.
What is the InChIKey of tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate?
The InChIKey is IPASGIAHDCFBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-13(2,3)19-12(18)15-8-9-7-14-11(20-9)10-5-6-17(4)16-10/h5-7H,8H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate?
tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate has a molecular weight of 294.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 126719888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).