N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

C16H14FN5OS — CID 86646062

IUPACN-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESNc1cc(Nc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1F
InChIInChI=1S/C16H14FN5OS/c17-10-4-3-9(7-11(10)18)19-13-6-5-12-15(21-13)24-16(20-12)22-14(23)8-1-2-8/h3-8H,1-2,18H2,(H,19,21)(H,20,22,23)
InChIKeyAYDWAXDSFZGCDN-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.50
Rot. Bonds4

About N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 86646062) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID86646062
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC NameN-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESNc1cc(Nc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1F
InChIInChI=1S/C16H14FN5OS/c17-10-4-3-9(7-11(10)18)19-13-6-5-12-15(21-13)24-16(20-12)22-14(23)8-1-2-8/h3-8H,1-2,18H2,(H,19,21)(H,20,22,23)
InChIKeyAYDWAXDSFZGCDN-UHFFFAOYSA-N
XLogP3.50
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 86646044
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
N-[5-[4-fluoro-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]phenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 46219902
N-[5-[4-chloro-N-(2-hydroxyethyl)anilino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 11668229
N-[5-(5-amino-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176926
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-[4-fluoro-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 46219901
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
1-[5-[(4-chloro-2-fluorophenyl)methylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(cyclopropylmethyl)urea
CID 87892605
N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-fluoro-4-iodophenyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 89032922

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 86646062) is N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is Nc1cc(Nc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1F.
What is the InChIKey of N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is AYDWAXDSFZGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c17-10-4-3-9(7-11(10)18)19-13-6-5-12-15(21-13)24-16(20-12)22-14(23)8-1-2-8/h3-8H,1-2,18H2,(H,19,21)(H,20,22,23).
What are the key properties of N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 86646062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).