1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea

C12H14N4S — CID 4126291

IUPAC1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCc1cn2ccccc2n1
InChIInChI=1S/C12H14N4S/c1-2-6-13-12(17)14-8-10-9-16-7-4-3-5-11(16)15-10/h2-5,7,9H,1,6,8H2,(H2,13,14,17)
InChIKeyUCUFDEPDMPOXTN-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.48
Rot. Bonds4

About 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea (PubChem CID 4126291) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea
PubChem CID4126291
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NCc1cn2ccccc2n1
InChIInChI=1S/C12H14N4S/c1-2-6-13-12(17)14-8-10-9-16-7-4-3-5-11(16)15-10/h2-5,7,9H,1,6,8H2,(H2,13,14,17)
InChIKeyUCUFDEPDMPOXTN-UHFFFAOYSA-N
XLogP1.48
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-prop-2-enylbenzamide
CID 9400053
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 110913540
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)propane-1,3-diol
CID 65313149
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
1-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 119116119
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-iodoethanamine
CID 114505443
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide
CID 17397246
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol
CID 115572847
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea (CID 4126291) is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea is C=CCNC(=S)NCc1cn2ccccc2n1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea?
The InChIKey is UCUFDEPDMPOXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-6-13-12(17)14-8-10-9-16-7-4-3-5-11(16)15-10/h2-5,7,9H,1,6,8H2,(H2,13,14,17).
What are the key properties of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea?
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea has a molecular weight of 246.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-prop-2-enylthiourea is sourced from PubChem (CID 4126291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).