(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone

C10H16N4OS — CID 166703611

IUPAC(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C10H16N4OS/c1-8(2)13-3-5-14(6-4-13)10(15)9-7-16-12-11-9/h7-8H,3-6H2,1-2H3
InChIKeyGURGZRXPGZLVLN-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.70
Rot. Bonds2

About (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone

(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone (PubChem CID 166703611) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
PubChem CID166703611
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C10H16N4OS/c1-8(2)13-3-5-14(6-4-13)10(15)9-7-16-12-11-9/h7-8H,3-6H2,1-2H3
InChIKeyGURGZRXPGZLVLN-UHFFFAOYSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide
CID 77060589
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone
CID 126857128
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398682
N,N,3,3-tetramethyl-4-(thiadiazole-4-carbonyl)piperazine-1-carboxamide
CID 154789778
2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 65214503

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone (CID 166703611) is (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone is CC(C)N1CCN(C(=O)c2csnn2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is GURGZRXPGZLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-8(2)13-3-5-14(6-4-13)10(15)9-7-16-12-11-9/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone?
(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 166703611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).