(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

C11H14N4OS — CID 62788252

IUPAC(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2csc(N)n2)CC1
InChIInChI=1S/C11H14N4OS/c1-2-3-14-4-6-15(7-5-14)10(16)9-8-17-11(12)13-9/h1,8H,3-7H2,(H2,12,13)
InChIKeyVRFVQXJFYRQPNW-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.12
Rot. Bonds2

About (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 62788252) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID62788252
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2csc(N)n2)CC1
InChIInChI=1S/C11H14N4OS/c1-2-3-14-4-6-15(7-5-14)10(16)9-8-17-11(12)13-9/h1,8H,3-7H2,(H2,12,13)
InChIKeyVRFVQXJFYRQPNW-UHFFFAOYSA-N
XLogP0.12
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 62787216
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 62789109
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 62787900
(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 106551233
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
(4-aminophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905926
(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408809
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
(2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone
CID 137342240

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 62788252) is (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)c2csc(N)n2)CC1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is VRFVQXJFYRQPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-3-14-4-6-15(7-5-14)10(16)9-8-17-11(12)13-9/h1,8H,3-7H2,(H2,12,13).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 250.33 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 62788252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).