N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide

C19H28N4O2S2 — CID 57392816

IUPACN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1
InChIInChI=1S/C19H28N4O2S2/c24-27(25,16-9-3-1-4-10-16)22-14-7-2-6-13-21-19-23-18(15-26-19)17-11-5-8-12-20-17/h5,8,11-12,15-16,22H,1-4,6-7,9-10,13-14H2,(H,21,23)
InChIKeyDUTMVABYYXGZJO-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.04
Rot. Bonds10

About N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide

N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide (PubChem CID 57392816) has the molecular formula C19H28N4O2S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide
PubChem CID57392816
Molecular FormulaC19H28N4O2S2
Molecular Weight408.59 g/mol
Exact Mass408.17
IUPAC NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1
InChIInChI=1S/C19H28N4O2S2/c24-27(25,16-9-3-1-4-10-16)22-14-7-2-6-13-21-19-23-18(15-26-19)17-11-5-8-12-20-17/h5,8,11-12,15-16,22H,1-4,6-7,9-10,13-14H2,(H,21,23)
InChIKeyDUTMVABYYXGZJO-UHFFFAOYSA-N
XLogP4.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(Pyridin-2-yl)-1,3-thiazol-2-amine
CID 1092459
Asnuciclib
CID 71561915
CDK Inhibitor, 6
CID 11595939
CDK Inhibitor, 3
CID 11675224
Thiourea, N-(2-(2-pyridinyl)ethyl)-N'-2-thiazolyl-
CID 3001095
1-(3-((4-Pyridin-2-ylpiperazin-1-yl)sulfonyl)phenyl)-3-(1,3-thiazol-2-yl)urea
CID 12087505
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
N-(1,3-Thiazol-2-yl)pyridin-2-amine 14
CID 5329327
CDK Inhibitor, 7
CID 11682552
1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea
CID 482056
4-phenyl-N-(3-pyridinyl)-2-thiazolamine
CID 697807

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide?
The IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide (CID 57392816) is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide?
The canonical SMILES for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide is O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1.
What is the InChIKey of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide?
The InChIKey is DUTMVABYYXGZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S2/c24-27(25,16-9-3-1-4-10-16)22-14-7-2-6-13-21-19-23-18(15-26-19)17-11-5-8-12-20-17/h5,8,11-12,15-16,22H,1-4,6-7,9-10,13-14H2,(H,21,23).
What are the key properties of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide?
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide has a molecular weight of 408.59 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide is sourced from PubChem (CID 57392816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).