1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea

C11H10ClN3O2S2 — CID 970121

IUPAC1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea
SMILESO=C(NNC(=S)NCc1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClN3O2S2/c12-9-4-3-8(19-9)10(16)14-15-11(18)13-6-7-2-1-5-17-7/h1-5H,6H2,(H,14,16)(H2,13,15,18)
InChIKeyBGUYVAAADZNTNR-UHFFFAOYSA-N
MW315.81 g/mol
LogP2.30
Rot. Bonds3

About 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea

1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea (PubChem CID 970121) has the molecular formula C11H10ClN3O2S2 and a molecular weight of 315.81 g/mol. Its IUPAC name is 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea
PubChem CID970121
Molecular FormulaC11H10ClN3O2S2
Molecular Weight315.81 g/mol
Exact Mass314.99
IUPAC Name1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea
SMILESO=C(NNC(=S)NCc1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClN3O2S2/c12-9-4-3-8(19-9)10(16)14-15-11(18)13-6-7-2-1-5-17-7/h1-5H,6H2,(H,14,16)(H2,13,15,18)
InChIKeyBGUYVAAADZNTNR-UHFFFAOYSA-N
XLogP2.30
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea (CID 970121) is 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea is O=C(NNC(=S)NCc1ccco1)c1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is BGUYVAAADZNTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S2/c12-9-4-3-8(19-9)10(16)14-15-11(18)13-6-7-2-1-5-17-7/h1-5H,6H2,(H,14,16)(H2,13,15,18).
What are the key properties of 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea?
1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 315.81 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophene-2-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 970121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).