benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate

C19H23N3O4S — CID 169472540

IUPACbenzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C=CCNC(=O)OCc2ccccc2)s1
InChIInChI=1S/C19H23N3O4S/c1-19(2,3)26-18(24)22-16-21-12-15(27-16)10-7-11-20-17(23)25-13-14-8-5-4-6-9-14/h4-10,12H,11,13H2,1-3H3,(H,20,23)(H,21,22,24)
InChIKeyVXKWHXVDJHEKST-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.43
Rot. Bonds6

About benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate

benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate (PubChem CID 169472540) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate
PubChem CID169472540
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Namebenzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C=CCNC(=O)OCc2ccccc2)s1
InChIInChI=1S/C19H23N3O4S/c1-19(2,3)26-18(24)22-16-21-12-15(27-16)10-7-11-20-17(23)25-13-14-8-5-4-6-9-14/h4-10,12H,11,13H2,1-3H3,(H,20,23)(H,21,22,24)
InChIKeyVXKWHXVDJHEKST-UHFFFAOYSA-N
XLogP4.43
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170813665
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
CID 169472385
benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169471246
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
CID 169471041
benzyl N-[3-(2,4-dichloropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169471267
2-[5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-2-pyridinyl]acetic acid
CID 169472043

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate (CID 169472540) is benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate is CC(C)(C)OC(=O)Nc1ncc(C=CCNC(=O)OCc2ccccc2)s1.
What is the InChIKey of benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate?
The InChIKey is VXKWHXVDJHEKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-19(2,3)26-18(24)22-16-21-12-15(27-16)10-7-11-20-17(23)25-13-14-8-5-4-6-9-14/h4-10,12H,11,13H2,1-3H3,(H,20,23)(H,21,22,24).
What are the key properties of benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate?
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate has a molecular weight of 389.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]prop-2-enyl]carbamate is sourced from PubChem (CID 169472540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).