N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine

C10H9ClFN3S2 — CID 134477064

IUPACN-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine
SMILESCNc1cc(F)c(SNc2nccs2)cc1Cl
InChIInChI=1S/C10H9ClFN3S2/c1-13-8-5-7(12)9(4-6(8)11)17-15-10-14-2-3-16-10/h2-5,13H,1H3,(H,14,15)
InChIKeyHUYCIDBXWGKGKP-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.10
Rot. Bonds4

About N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine

N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine (PubChem CID 134477064) has the molecular formula C10H9ClFN3S2 and a molecular weight of 289.79 g/mol. Its IUPAC name is N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine
PubChem CID134477064
Molecular FormulaC10H9ClFN3S2
Molecular Weight289.79 g/mol
Exact Mass288.99
IUPAC NameN-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine
SMILESCNc1cc(F)c(SNc2nccs2)cc1Cl
InChIInChI=1S/C10H9ClFN3S2/c1-13-8-5-7(12)9(4-6(8)11)17-15-10-14-2-3-16-10/h2-5,13H,1H3,(H,14,15)
InChIKeyHUYCIDBXWGKGKP-UHFFFAOYSA-N
XLogP4.10
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-aminopropyl]-N'-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylamino)sulfanylphenyl]butane-1,4-diamine
CID 170092240
N-[5-chloro-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)amino]-2-fluorophenyl]sulfanyl-1,3-thiazol-2-amine;N-methylmethanamine
CID 142330331
N-[4-[(3-bromophenyl)methylamino]-5-chloro-2-fluorophenyl]sulfanyl-1,3-thiazol-2-amine
CID 134602204
N-[5-chloro-4-(1,4-dioxan-2-ylmethylamino)-2-fluorophenyl]sulfanyl-1,3-thiazol-2-amine
CID 166786014
N-[5-chloro-4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]sulfanyl-1,3-thiazol-2-amine
CID 134602007
N-[5-chloro-4-[(2,6-difluorophenyl)methoxy]-2-fluorophenyl]sulfanyl-1,3-thiazol-2-amine
CID 134602301
N-[5-chloro-2-fluoro-4-[[4-(furan-3-yl)-6-(4-methylphenyl)-3-pyridinyl]amino]phenyl]sulfanyl-1,3-thiazol-2-amine
CID 178082783
N-[5-chloro-2-fluoro-4-[(2-morpholin-4-yl-1-phenylethyl)amino]phenyl]sulfanyl-1,3-thiazol-2-amine
CID 134602247
N-[(3S)-azepan-3-yl]-N'-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylamino)sulfanylphenyl]butane-1,4-diamine
CID 170092394
N-[5-chloro-2-fluoro-4-[[4-(furan-3-yl)-6-(4-propan-2-ylphenyl)-3-pyridinyl]amino]phenyl]sulfanyl-1,3-thiazol-2-amine
CID 177357334
N'-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylamino)sulfanylphenyl]-N-(piperidin-3-ylmethyl)pentane-1,5-diamine
CID 134536330
N-[4-(benzylamino)-5-bromo-2-fluorophenyl]sulfanyl-1,3-thiazol-2-amine
CID 134601818

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine?
The IUPAC name of N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine (CID 134477064) is N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine is CNc1cc(F)c(SNc2nccs2)cc1Cl.
What is the InChIKey of N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine?
The InChIKey is HUYCIDBXWGKGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S2/c1-13-8-5-7(12)9(4-6(8)11)17-15-10-14-2-3-16-10/h2-5,13H,1H3,(H,14,15).
What are the key properties of N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine?
N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine has a molecular weight of 289.79 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-fluoro-4-(methylamino)phenyl]sulfanyl-1,3-thiazol-2-amine is sourced from PubChem (CID 134477064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).