methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium

C10H16N2O3PS+ — CID 87420278

IUPACmethyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium
SMILESC[P+](=O)Cc1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C10H15N2O3PS/c1-10(2,3)15-9(13)12-8-11-7(6-17-8)5-16(4)14/h6H,5H2,1-4H3/p+1
InChIKeyOPLUSBXZQSKNFM-UHFFFAOYSA-O
MW275.29 g/mol
LogP3.45
Rot. Bonds3

About methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium

methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium (PubChem CID 87420278) has the molecular formula C10H16N2O3PS+ and a molecular weight of 275.29 g/mol. Its IUPAC name is methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium.

Molecular Properties

Compound Namemethyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium
PubChem CID87420278
Molecular FormulaC10H16N2O3PS+
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Namemethyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium
SMILESC[P+](=O)Cc1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C10H15N2O3PS/c1-10(2,3)15-9(13)12-8-11-7(6-17-8)5-16(4)14/h6H,5H2,1-4H3/p+1
InChIKeyOPLUSBXZQSKNFM-UHFFFAOYSA-O
XLogP3.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 176721040
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]butanoic acid
CID 18671420
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 146022911
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
CID 88716756
tert-butyl N-[4-[2-(4-nitroanilino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 86591520
3,3-dichloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]prop-2-enoic acid;hydrochloride
CID 88691310
tert-butyl N-[4-[2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate;ethane
CID 142514731
tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate
CID 91268149
propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
CID 133058956
tert-butyl N-[4-[(E)-1-oxobut-2-en-2-yl]-1,3-thiazol-2-yl]carbamate
CID 88680289
1-O-ethyl 3-O-methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]propanedioate
CID 139735139

Frequently Asked Questions

What is the IUPAC name of methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium?
The IUPAC name of methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium (CID 87420278) is methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium.
What is the SMILES notation for methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium?
The canonical SMILES for methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium is C[P+](=O)Cc1csc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium?
The InChIKey is OPLUSBXZQSKNFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15N2O3PS/c1-10(2,3)15-9(13)12-8-11-7(6-17-8)5-16(4)14/h6H,5H2,1-4H3/p+1.
What are the key properties of methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium?
methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium has a molecular weight of 275.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium is sourced from PubChem (CID 87420278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).