N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C14H17F3N6OS — CID 30936913

IUPACN-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1ccc([C@H]2CCCN2CCC(F)(F)F)s1
InChIInChI=1S/C14H17F3N6OS/c15-14(16,17)5-7-23-6-1-2-9(23)10-3-4-11(25-10)13(24)18-8-12-19-21-22-20-12/h3-4,9H,1-2,5-8H2,(H,18,24)(H,19,20,21,22)/t9-/m1/s1
InChIKeySVVVCNHNOOPRBX-SECBINFHSA-N
MW374.39 g/mol
LogP2.28
Rot. Bonds6

About N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 30936913) has the molecular formula C14H17F3N6OS and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID30936913
Molecular FormulaC14H17F3N6OS
Molecular Weight374.39 g/mol
Exact Mass374.11
IUPAC NameN-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1ccc([C@H]2CCCN2CCC(F)(F)F)s1
InChIInChI=1S/C14H17F3N6OS/c15-14(16,17)5-7-23-6-1-2-9(23)10-3-4-11(25-10)13(24)18-8-12-19-21-22-20-12/h3-4,9H,1-2,5-8H2,(H,18,24)(H,19,20,21,22)/t9-/m1/s1
InChIKeySVVVCNHNOOPRBX-SECBINFHSA-N
XLogP2.28
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 30936913) is N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide is O=C(NCc1nn[nH]n1)c1ccc([C@H]2CCCN2CCC(F)(F)F)s1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is SVVVCNHNOOPRBX-SECBINFHSA-N. The full InChI is InChI=1S/C14H17F3N6OS/c15-14(16,17)5-7-23-6-1-2-9(23)10-3-4-11(25-10)13(24)18-8-12-19-21-22-20-12/h3-4,9H,1-2,5-8H2,(H,18,24)(H,19,20,21,22)/t9-/m1/s1.
What are the key properties of N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)-5-[(2R)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30936913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).