1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea

C13H14N4S2 — CID 108784318

IUPAC1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea
SMILESC=CCNC(=S)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C13H14N4S2/c1-2-6-15-13(18)16-8-10-9-19-12(17-10)11-5-3-4-7-14-11/h2-5,7,9H,1,6,8H2,(H2,15,16,18)
InChIKeyRLGJKCITOICRKN-UHFFFAOYSA-N
MW290.42 g/mol
LogP2.36
Rot. Bonds5

About 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea

1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea (PubChem CID 108784318) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea
PubChem CID108784318
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea
SMILESC=CCNC(=S)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C13H14N4S2/c1-2-6-15-13(18)16-8-10-9-19-12(17-10)11-5-3-4-7-14-11/h2-5,7,9H,1,6,8H2,(H2,15,16,18)
InChIKeyRLGJKCITOICRKN-UHFFFAOYSA-N
XLogP2.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
CID 115633197
2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770816
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770782
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
CID 107302977
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea?
The IUPAC name of 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea (CID 108784318) is 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea.
What is the SMILES notation for 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea?
The canonical SMILES for 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea is C=CCNC(=S)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea?
The InChIKey is RLGJKCITOICRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-2-6-15-13(18)16-8-10-9-19-12(17-10)11-5-3-4-7-14-11/h2-5,7,9H,1,6,8H2,(H2,15,16,18).
What are the key properties of 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea?
1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea has a molecular weight of 290.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea is sourced from PubChem (CID 108784318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).