1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate

C16H20N2O2S — CID 123306319

IUPAC1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate
SMILESCCCC(Cc1ccccc1)NC(=O)OCc1cncs1
InChIInChI=1S/C16H20N2O2S/c1-2-6-14(9-13-7-4-3-5-8-13)18-16(19)20-11-15-10-17-12-21-15/h3-5,7-8,10,12,14H,2,6,9,11H2,1H3,(H,18,19)
InChIKeyXVZUSTZSCSBIPN-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.78
Rot. Bonds7

About 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate

1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate (PubChem CID 123306319) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate
PubChem CID123306319
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate
SMILESCCCC(Cc1ccccc1)NC(=O)OCc1cncs1
InChIInChI=1S/C16H20N2O2S/c1-2-6-14(9-13-7-4-3-5-8-13)18-16(19)20-11-15-10-17-12-21-15/h3-5,7-8,10,12,14H,2,6,9,11H2,1H3,(H,18,19)
InChIKeyXVZUSTZSCSBIPN-UHFFFAOYSA-N
XLogP3.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-methylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 57405187
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-(2,3-dihydro-1,3-thiazol-5-ylmethoxycarbonylamino)-1,6-diphenylhexan-2-yl]carbamate
CID 163443172
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 59721345
1,3-thiazol-5-ylmethyl N-[(2R)-1-[2,2-dimethylpropyl-[(2S)-3-phenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)propyl]amino]-3-phenylpropan-2-yl]carbamate
CID 11853693
1,3-thiazol-5-ylmethyl N-[1-[ethyl-[(2R)-3-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-5-ylmethoxycarbonylamino)propyl]amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 66639790
methyl 6-[bis[(2R)-3-phenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)propyl]amino]hexanoate
CID 66639827
1,3-thiazol-5-ylmethyl N-[5-amino-4-hydroxy-6-phenyl-1-(1,3-thiazol-5-yl)hexan-2-yl]carbamate
CID 18758976
1,3-thiazol-5-ylmethyl N-[(2R,3R,5R)-5-acetamido-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 124562642
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-amino-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;hydrochloride
CID 165429138
1,3-thiazol-5-ylmethyl N-[3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]carbamate
CID 25096501
1,3-thiazol-5-ylmethyl N-[5-[[3-(2-methylpropoxy)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 126603518
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-(methylcarbamoylamino)-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 59414269

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate (CID 123306319) is 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate is CCCC(Cc1ccccc1)NC(=O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate?
The InChIKey is XVZUSTZSCSBIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-6-14(9-13-7-4-3-5-8-13)18-16(19)20-11-15-10-17-12-21-15/h3-5,7-8,10,12,14H,2,6,9,11H2,1H3,(H,18,19).
What are the key properties of 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate?
1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate has a molecular weight of 304.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate is sourced from PubChem (CID 123306319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).