2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole

C10H13N3S — CID 60708694

IUPAC2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole
SMILESC#CCN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H13N3S/c1-2-4-12-5-7-13(8-6-12)10-11-3-9-14-10/h1,3,9H,4-8H2
InChIKeyZSUKBLADNFADGF-UHFFFAOYSA-N
MW207.30 g/mol
LogP0.90
Rot. Bonds2

About 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole

2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole (PubChem CID 60708694) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole
PubChem CID60708694
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole
SMILESC#CCN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H13N3S/c1-2-4-12-5-7-13(8-6-12)10-11-3-9-14-10/h1,3,9H,4-8H2
InChIKeyZSUKBLADNFADGF-UHFFFAOYSA-N
XLogP0.90
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Thiazol-2-yl)piperazine
CID 911806
2-(Pyrrolidin-1-yl)thiazole
CID 2513533
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/2)
CID 21925413
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/1)
CID 23467106
N,N-diethyl-1,3-thiazol-2-amine
CID 2530298
N,N-Dimethyl-1,3-thiazol-2-amine
CID 12448550
1-(1,3-Thiazol-2-yl)piperidine
CID 15110477
2-Dibutylaminothiazole
CID 57506949
2-Thiomorpholinothiazole
CID 59156475
2-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]propanenitrile
CID 42931497
2-[4-(2-Methylprop-2-enyl)piperazin-1-yl]-1,3-thiazole
CID 53522970
2-(4,4-Difluoropiperidin-1-yl)thiazole
CID 121184631

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole (CID 60708694) is 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole is C#CCN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is ZSUKBLADNFADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-4-12-5-7-13(8-6-12)10-11-3-9-14-10/h1,3,9H,4-8H2.
What are the key properties of 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole?
2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 207.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-ynylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 60708694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).