N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide

C18H15N3OS — CID 50961203

IUPACN-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESC=CCN(CC#Cc1ccccc1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C18H15N3OS/c1-2-10-20(11-6-9-15-7-4-3-5-8-15)17(22)16-14-21-12-13-23-18(21)19-16/h2-5,7-8,12-14H,1,10-11H2
InChIKeyCWXRFYGYZQUQKU-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.08
Rot. Bonds4

About N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 50961203) has the molecular formula C18H15N3OS and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID50961203
Molecular FormulaC18H15N3OS
Molecular Weight321.40 g/mol
Exact Mass321.09
IUPAC NameN-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESC=CCN(CC#Cc1ccccc1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C18H15N3OS/c1-2-10-20(11-6-9-15-7-4-3-5-8-15)17(22)16-14-21-12-13-23-18(21)19-16/h2-5,7-8,12-14H,1,10-11H2
InChIKeyCWXRFYGYZQUQKU-UHFFFAOYSA-N
XLogP3.08
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 134022260
N-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110851231
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
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imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853246
2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide
CID 50959236
4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134025287
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CID 70704455
N-(4-phenoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862652
N-formyl-N-(3-phenylprop-2-ynyl)formamide
CID 130431755
N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenylethyl)acetamide
CID 111122119
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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 50961203) is N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide is C=CCN(CC#Cc1ccccc1)C(=O)c1cn2ccsc2n1.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is CWXRFYGYZQUQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-2-10-20(11-6-9-15-7-4-3-5-8-15)17(22)16-14-21-12-13-23-18(21)19-16/h2-5,7-8,12-14H,1,10-11H2.
What are the key properties of N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 50961203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).