(2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate

C24H29N3O2S — CID 123314403

IUPAC(2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate
SMILESCc1ncc(COC(=O)NC(CCC(N)Cc2ccccc2)Cc2ccccc2)s1
InChIInChI=1S/C24H29N3O2S/c1-18-26-16-23(30-18)17-29-24(28)27-22(15-20-10-6-3-7-11-20)13-12-21(25)14-19-8-4-2-5-9-19/h2-11,16,21-22H,12-15,17,25H2,1H3,(H,27,28)
InChIKeyXEHVTXPRUGMXGR-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.64
Rot. Bonds10

About (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate

(2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate (PubChem CID 123314403) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate
PubChem CID123314403
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name(2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate
SMILESCc1ncc(COC(=O)NC(CCC(N)Cc2ccccc2)Cc2ccccc2)s1
InChIInChI=1S/C24H29N3O2S/c1-18-26-16-23(30-18)17-29-24(28)27-22(15-20-10-6-3-7-11-20)13-12-21(25)14-19-8-4-2-5-9-19/h2-11,16,21-22H,12-15,17,25H2,1H3,(H,27,28)
InChIKeyXEHVTXPRUGMXGR-UHFFFAOYSA-N
XLogP4.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-thiazol-5-ylmethyl N-(1-phenylpentan-2-yl)carbamate
CID 123306319
[2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxycarbonylamino]hexyl]-methyl-methylidenephosphanium
CID 91198018
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-methylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CID 57405187
(2S,5S)-1,6-diphenylhexane-2,5-diamine;methane;(4-nitrophenyl) 1,3-thiazol-5-ylmethyl carbonate;1,3-thiazol-5-ylmethyl N-[(2S,5S)-5-amino-1,6-diphenylhexan-2-yl]carbamate;hydroiodide
CID 161205263
thiophen-2-ylmethyl N-[(2S)-1-phenyl-3-[[(2S)-3-phenyl-2-(thiophen-2-ylmethoxycarbonylamino)propyl]amino]propan-2-yl]carbamate
CID 11856859
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,5R)-5-(2,3-dihydro-1,3-thiazol-5-ylmethoxycarbonylamino)-1,6-diphenylhexan-2-yl]carbamate
CID 163443172
pyridin-3-ylmethyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15234551
1,3-thiazol-5-ylmethyl N-[(2R,3R,5R)-5-acetamido-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 124562642
(2-methyl-1,3-thiazol-4-yl)methyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 57071898
benzyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 106483964
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

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate (CID 123314403) is (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate is Cc1ncc(COC(=O)NC(CCC(N)Cc2ccccc2)Cc2ccccc2)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate?
The InChIKey is XEHVTXPRUGMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-18-26-16-23(30-18)17-29-24(28)27-22(15-20-10-6-3-7-11-20)13-12-21(25)14-19-8-4-2-5-9-19/h2-11,16,21-22H,12-15,17,25H2,1H3,(H,27,28).
What are the key properties of (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate?
(2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate has a molecular weight of 423.58 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)methyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate is sourced from PubChem (CID 123314403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).