1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea

C10H10N4OS3 — CID 2744110

IUPAC1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea
SMILESCNC(=S)NNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C10H10N4OS3/c1-11-10(16)14-13-8(15)6-5-18-9(12-6)7-3-2-4-17-7/h2-5H,1H3,(H,13,15)(H2,11,14,16)
InChIKeyUMRSKHRYFSPCTG-UHFFFAOYSA-N
MW298.42 g/mol
LogP1.61
Rot. Bonds2

About 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea

1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea (PubChem CID 2744110) has the molecular formula C10H10N4OS3 and a molecular weight of 298.42 g/mol. Its IUPAC name is 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea
PubChem CID2744110
Molecular FormulaC10H10N4OS3
Molecular Weight298.42 g/mol
Exact Mass298.00
IUPAC Name1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea
SMILESCNC(=S)NNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C10H10N4OS3/c1-11-10(16)14-13-8(15)6-5-18-9(12-6)7-3-2-4-17-7/h2-5H,1H3,(H,13,15)(H2,11,14,16)
InChIKeyUMRSKHRYFSPCTG-UHFFFAOYSA-N
XLogP1.61
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea?
The IUPAC name of 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea (CID 2744110) is 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea.
What is the SMILES notation for 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea?
The canonical SMILES for 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea is CNC(=S)NNC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea?
The InChIKey is UMRSKHRYFSPCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS3/c1-11-10(16)14-13-8(15)6-5-18-9(12-6)7-3-2-4-17-7/h2-5H,1H3,(H,13,15)(H2,11,14,16).
What are the key properties of 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea?
1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea has a molecular weight of 298.42 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea is sourced from PubChem (CID 2744110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).