2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide

C16H14FN5OS2 — CID 171545627

IUPAC2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cnsc1)c1cnc(-c2ccc(N3CC[C@@H](F)C3)nc2)s1
InChIInChI=1S/C16H14FN5OS2/c17-11-3-4-22(8-11)14-2-1-10(5-18-14)16-19-7-13(25-16)15(23)21-12-6-20-24-9-12/h1-2,5-7,9,11H,3-4,8H2,(H,21,23)/t11-/m1/s1
InChIKeyWYBRLCMFTYVGJX-LLVKDONJSA-N
MW375.45 g/mol
LogP3.46
Rot. Bonds4

About 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide

2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 171545627) has the molecular formula C16H14FN5OS2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID171545627
Molecular FormulaC16H14FN5OS2
Molecular Weight375.45 g/mol
Exact Mass375.06
IUPAC Name2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cnsc1)c1cnc(-c2ccc(N3CC[C@@H](F)C3)nc2)s1
InChIInChI=1S/C16H14FN5OS2/c17-11-3-4-22(8-11)14-2-1-10(5-18-14)16-19-7-13(25-16)15(23)21-12-6-20-24-9-12/h1-2,5-7,9,11H,3-4,8H2,(H,21,23)/t11-/m1/s1
InChIKeyWYBRLCMFTYVGJX-LLVKDONJSA-N
XLogP3.46
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
CID 146272225
1-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595362
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442
5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 174034328
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 167781477
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
CID 58866660
1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595458
6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine
CID 158969023
(E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine
CID 166475099
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 59113572
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride
CID 172915744

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide (CID 171545627) is 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide is O=C(Nc1cnsc1)c1cnc(-c2ccc(N3CC[C@@H](F)C3)nc2)s1.
What is the InChIKey of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is WYBRLCMFTYVGJX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14FN5OS2/c17-11-3-4-22(8-11)14-2-1-10(5-18-14)16-19-7-13(25-16)15(23)21-12-6-20-24-9-12/h1-2,5-7,9,11H,3-4,8H2,(H,21,23)/t11-/m1/s1.
What are the key properties of 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide?
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171545627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).