N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C12H11N5OS3 — CID 8674602

IUPACN-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C12H11N5OS3/c13-5-7-3-4-19-10(7)15-9(18)6-20-12-17-16-11(21-12)14-8-1-2-8/h3-4,8H,1-2,6H2,(H,14,16)(H,15,18)
InChIKeyJWBOUCUBAJNDDU-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.78
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 8674602) has the molecular formula C12H11N5OS3 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID8674602
Molecular FormulaC12H11N5OS3
Molecular Weight337.46 g/mol
Exact Mass337.01
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C12H11N5OS3/c13-5-7-3-4-19-10(7)15-9(18)6-20-12-17-16-11(21-12)14-8-1-2-8/h3-4,8H,1-2,6H2,(H,14,16)(H,15,18)
InChIKeyJWBOUCUBAJNDDU-UHFFFAOYSA-N
XLogP2.78
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 8674602) is N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is N#Cc1ccsc1NC(=O)CSc1nnc(NC2CC2)s1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is JWBOUCUBAJNDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS3/c13-5-7-3-4-19-10(7)15-9(18)6-20-12-17-16-11(21-12)14-8-1-2-8/h3-4,8H,1-2,6H2,(H,14,16)(H,15,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 337.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 8674602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).