4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole

C10H13N3S — CID 164648652

IUPAC4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
SMILESC(#Cc1cnsc1)CN1CCNCC1
InChIInChI=1S/C10H13N3S/c1(2-10-8-12-14-9-10)5-13-6-3-11-4-7-13/h8-9,11H,3-7H2
InChIKeyUDENXTZKHHRNQN-UHFFFAOYSA-N
MW207.30 g/mol
LogP0.40
Rot. Bonds1

About 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole

4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole (PubChem CID 164648652) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole.

Molecular Properties

Compound Name4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
PubChem CID164648652
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
SMILESC(#Cc1cnsc1)CN1CCNCC1
InChIInChI=1S/C10H13N3S/c1(2-10-8-12-14-9-10)5-13-6-3-11-4-7-13/h8-9,11H,3-7H2
InChIKeyUDENXTZKHHRNQN-UHFFFAOYSA-N
XLogP0.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine
CID 63019189
2-amino-6-(3-piperazin-1-ylprop-1-ynyl)-1,3-benzothiazol-4-ol
CID 138713798
1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine
CID 60799948
1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine
CID 60802014
1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine
CID 63947780
1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine
CID 66022281
1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
CID 117269597
1-[3-(5-fluoro-2-methylphenyl)prop-2-ynyl]piperazine
CID 60799773
1-(4-methoxybut-2-ynyl)piperazine
CID 117269600
1-(5,5-dimethylhex-2-ynyl)piperazine
CID 117269584
1-[8-(3-piperazin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 156860922
1-[3-(4-fluorophenyl)prop-2-ynyl]-1,4-diazepan-5-one
CID 97237974

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole?
The IUPAC name of 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole (CID 164648652) is 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole.
What is the SMILES notation for 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole?
The canonical SMILES for 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole is C(#Cc1cnsc1)CN1CCNCC1.
What is the InChIKey of 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole?
The InChIKey is UDENXTZKHHRNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1(2-10-8-12-14-9-10)5-13-6-3-11-4-7-13/h8-9,11H,3-7H2.
What are the key properties of 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole?
4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole has a molecular weight of 207.30 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole is sourced from PubChem (CID 164648652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).