[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid

C16H20N4O3S — CID 175099310

IUPAC[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid
SMILESNC(CCCCNC(=O)O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N4O3S/c17-12(8-4-5-9-18-16(22)23)14(21)20-15-19-13(10-24-15)11-6-2-1-3-7-11/h1-3,6-7,10,12,18H,4-5,8-9,17H2,(H,22,23)(H,19,20,21)
InChIKeyBSNUDLLNRDTNDC-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.51
Rot. Bonds8

About [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid

[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid (PubChem CID 175099310) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid.

Molecular Properties

Compound Name[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid
PubChem CID175099310
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid
SMILESNC(CCCCNC(=O)O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N4O3S/c17-12(8-4-5-9-18-16(22)23)14(21)20-15-19-13(10-24-15)11-6-2-1-3-7-11/h1-3,6-7,10,12,18H,4-5,8-9,17H2,(H,22,23)(H,19,20,21)
InChIKeyBSNUDLLNRDTNDC-UHFFFAOYSA-N
XLogP2.51
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
CID 156819595
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide
CID 75074322
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
benzyl N-[(2S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]heptan-2-yl]carbamate
CID 59028964
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119264520
benzyl N-[8-(hydroxyamino)-1,8-dioxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]octan-2-yl]carbamate
CID 73046360
tert-butyl N-[(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]carbamate
CID 59028995

Frequently Asked Questions

What is the IUPAC name of [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid?
The IUPAC name of [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid (CID 175099310) is [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid.
What is the SMILES notation for [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid?
The canonical SMILES for [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid is NC(CCCCNC(=O)O)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid?
The InChIKey is BSNUDLLNRDTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-12(8-4-5-9-18-16(22)23)14(21)20-15-19-13(10-24-15)11-6-2-1-3-7-11/h1-3,6-7,10,12,18H,4-5,8-9,17H2,(H,22,23)(H,19,20,21).
What are the key properties of [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid?
[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid has a molecular weight of 348.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid is sourced from PubChem (CID 175099310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).