5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile

C14H10ClN3O2S — CID 133334000

IUPAC5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C14H10ClN3O2S/c15-13-12(7-16)14(21-17-13)18(8-10-3-1-5-19-10)9-11-4-2-6-20-11/h1-6H,8-9H2
InChIKeyAFQOJDBXVWOKRW-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.06
Rot. Bonds5

About 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile

5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile (PubChem CID 133334000) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile
PubChem CID133334000
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C14H10ClN3O2S/c15-13-12(7-16)14(21-17-13)18(8-10-3-1-5-19-10)9-11-4-2-6-20-11/h1-6H,8-9H2
InChIKeyAFQOJDBXVWOKRW-UHFFFAOYSA-N
XLogP4.06
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile (CID 133334000) is 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile?
The InChIKey is AFQOJDBXVWOKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-13-12(7-16)14(21-17-13)18(8-10-3-1-5-19-10)9-11-4-2-6-20-11/h1-6H,8-9H2.
What are the key properties of 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile?
5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile has a molecular weight of 319.77 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(furan-2-ylmethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133334000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).