N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine

C24H29N5OS — CID 3193727

IUPACN-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C24H29N5OS/c1-5-24(3,4)29-23(25-26-27-29)22(19-12-10-18(2)11-13-19)28(16-20-8-6-14-30-20)17-21-9-7-15-31-21/h6-15,22H,5,16-17H2,1-4H3
InChIKeyKFNUXOPRMHDDEF-UHFFFAOYSA-N
MW435.60 g/mol
LogP5.57
Rot. Bonds9

About N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine

N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 3193727) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID3193727
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC NameN-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C24H29N5OS/c1-5-24(3,4)29-23(25-26-27-29)22(19-12-10-18(2)11-13-19)28(16-20-8-6-14-30-20)17-21-9-7-15-31-21/h6-15,22H,5,16-17H2,1-4H3
InChIKeyKFNUXOPRMHDDEF-UHFFFAOYSA-N
XLogP5.57
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.60
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 3193727) is N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine is CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is KFNUXOPRMHDDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-5-24(3,4)29-23(25-26-27-29)22(19-12-10-18(2)11-13-19)28(16-20-8-6-14-30-20)17-21-9-7-15-31-21/h6-15,22H,5,16-17H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 435.60 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 3193727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).