2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide

C15H21N5O3S2 — CID 75074322

IUPAC2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide
SMILESNC(CCCCNS(N)(=O)=O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H21N5O3S2/c16-12(8-4-5-9-18-25(17,22)23)14(21)20-15-19-13(10-24-15)11-6-2-1-3-7-11/h1-3,6-7,10,12,18H,4-5,8-9,16H2,(H2,17,22,23)(H,19,20,21)
InChIKeyRSERVPWYQIBMMZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.04
Rot. Bonds9

About 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide

2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide (PubChem CID 75074322) has the molecular formula C15H21N5O3S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide.

Molecular Properties

Compound Name2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide
PubChem CID75074322
Molecular FormulaC15H21N5O3S2
Molecular Weight383.50 g/mol
Exact Mass383.11
IUPAC Name2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide
SMILESNC(CCCCNS(N)(=O)=O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H21N5O3S2/c16-12(8-4-5-9-18-25(17,22)23)14(21)20-15-19-13(10-24-15)11-6-2-1-3-7-11/h1-3,6-7,10,12,18H,4-5,8-9,16H2,(H2,17,22,23)(H,19,20,21)
InChIKeyRSERVPWYQIBMMZ-UHFFFAOYSA-N
XLogP1.04
TPSA140.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid
CID 175099310
tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
CID 156819595
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
benzyl N-[(2S)-1-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 59028862
benzyl N-[(2S)-1-[[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]-1-oxo-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 59029044
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
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
ethyl 2-[[(2S)-2-(phenylmethoxycarbonylamino)-6-(sulfamoylamino)hexanoyl]amino]-1,3-thiazole-4-carboxylate
CID 44572405
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584
benzyl N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxo-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 143593118
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide?
The IUPAC name of 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide (CID 75074322) is 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide.
What is the SMILES notation for 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide?
The canonical SMILES for 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide is NC(CCCCNS(N)(=O)=O)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide?
The InChIKey is RSERVPWYQIBMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S2/c16-12(8-4-5-9-18-25(17,22)23)14(21)20-15-19-13(10-24-15)11-6-2-1-3-7-11/h1-3,6-7,10,12,18H,4-5,8-9,16H2,(H2,17,22,23)(H,19,20,21).
What are the key properties of 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide?
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide has a molecular weight of 383.50 g/mol, XLogP of 1.04, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide is sourced from PubChem (CID 75074322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).