1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea

C14H17N3S2 — CID 788706

IUPAC1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea
SMILESCCn1c(C)csc1=NC(=S)Nc1ccccc1C
InChIInChI=1S/C14H17N3S2/c1-4-17-11(3)9-19-14(17)16-13(18)15-12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyMVELUCXLQISMCG-UHFFFAOYSA-N
MW291.45 g/mol
LogP3.48
Rot. Bonds2

About 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea

1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea (PubChem CID 788706) has the molecular formula C14H17N3S2 and a molecular weight of 291.45 g/mol. Its IUPAC name is 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea
PubChem CID788706
Molecular FormulaC14H17N3S2
Molecular Weight291.45 g/mol
Exact Mass291.09
IUPAC Name1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea
SMILESCCn1c(C)csc1=NC(=S)Nc1ccccc1C
InChIInChI=1S/C14H17N3S2/c1-4-17-11(3)9-19-14(17)16-13(18)15-12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyMVELUCXLQISMCG-UHFFFAOYSA-N
XLogP3.48
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-phenylthiourea
CID 6339644
1-imino-3-(2-methylphenyl)thiourea
CID 175716953
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
CID 8624605
2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877191
ethane;1-methyl-3-(2-methylphenyl)thiourea
CID 90811934
2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide
CID 56694544
N-[(2-methylphenyl)carbamothioyl]propanamide
CID 884642
1,1-dibutyl-3-(2-methylphenyl)thiourea
CID 19653127
1-benzyl-3-(2-methylphenyl)-1-propan-2-ylthiourea
CID 8616181
2-[[5-(4-bromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 4500186
N-(2-methylphenyl)-3-oxobutanamide
CID 7154

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea (CID 788706) is 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea is CCn1c(C)csc1=NC(=S)Nc1ccccc1C.
What is the InChIKey of 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea?
The InChIKey is MVELUCXLQISMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-4-17-11(3)9-19-14(17)16-13(18)15-12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea?
1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea has a molecular weight of 291.45 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 788706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).