[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone

C12H13ClN4OS2 — CID 56817002

IUPAC[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C12H13ClN4OS2/c13-11-2-1-9(20-11)7-16-3-5-17(6-4-16)12(18)10-8-19-15-14-10/h1-2,8H,3-7H2
InChIKeyZOHJHGKSGVCLOW-UHFFFAOYSA-N
MW328.85 g/mol
LogP2.21
Rot. Bonds3

About [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 56817002) has the molecular formula C12H13ClN4OS2 and a molecular weight of 328.85 g/mol. Its IUPAC name is [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID56817002
Molecular FormulaC12H13ClN4OS2
Molecular Weight328.85 g/mol
Exact Mass328.02
IUPAC Name[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C12H13ClN4OS2/c13-11-2-1-9(20-11)7-16-3-5-17(6-4-16)12(18)10-8-19-15-14-10/h1-2,8H,3-7H2
InChIKeyZOHJHGKSGVCLOW-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 60641592
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 62491432
4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide
CID 134061909
(E)-4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobut-2-enoic acid
CID 60954103
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-iodophenyl)methanone
CID 27841614
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 27841515
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-5-hydroxypentan-1-one
CID 79199876
3-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64684882

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone (CID 56817002) is [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is ZOHJHGKSGVCLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS2/c13-11-2-1-9(20-11)7-16-3-5-17(6-4-16)12(18)10-8-19-15-14-10/h1-2,8H,3-7H2.
What are the key properties of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone?
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 328.85 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 56817002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).