N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide

C14H13F4N3OS — CID 58236273

IUPACN,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)N(C)CC(F)(F)C(F)F
InChIInChI=1S/C14H13F4N3OS/c1-8-10(12(22)21(2)7-14(17,18)13(15)16)23-11(20-8)9-4-3-5-19-6-9/h3-6,13H,7H2,1-2H3
InChIKeyCTRXGSNMKVJPFW-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.49
Rot. Bonds5

About N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide (PubChem CID 58236273) has the molecular formula C14H13F4N3OS and a molecular weight of 347.34 g/mol. Its IUPAC name is N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide
PubChem CID58236273
Molecular FormulaC14H13F4N3OS
Molecular Weight347.34 g/mol
Exact Mass347.07
IUPAC NameN,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)N(C)CC(F)(F)C(F)F
InChIInChI=1S/C14H13F4N3OS/c1-8-10(12(22)21(2)7-14(17,18)13(15)16)23-11(20-8)9-4-3-5-19-6-9/h3-6,13H,7H2,1-2H3
InChIKeyCTRXGSNMKVJPFW-UHFFFAOYSA-N
XLogP3.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide (CID 58236273) is N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)N(C)CC(F)(F)C(F)F.
What is the InChIKey of N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CTRXGSNMKVJPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3OS/c1-8-10(12(22)21(2)7-14(17,18)13(15)16)23-11(20-8)9-4-3-5-19-6-9/h3-6,13H,7H2,1-2H3.
What are the key properties of N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-pyridin-3-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).