1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea

C10H14N6OS2 — CID 167361148

IUPAC1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
SMILESCNC(=S)N/N=C(/C=N/NC(=S)NC)c1ccco1
InChIInChI=1S/C10H14N6OS2/c1-11-9(18)15-13-6-7(8-4-3-5-17-8)14-16-10(19)12-2/h3-6H,1-2H3,(H2,11,15,18)(H2,12,16,19)/b13-6+,14-7-
InChIKeyBCLATGMTMSHNCH-JFCLYLFASA-N
MW298.40 g/mol
LogP0.16
Rot. Bonds4

About 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea

1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea (PubChem CID 167361148) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
PubChem CID167361148
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC Name1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
SMILESCNC(=S)N/N=C(/C=N/NC(=S)NC)c1ccco1
InChIInChI=1S/C10H14N6OS2/c1-11-9(18)15-13-6-7(8-4-3-5-17-8)14-16-10(19)12-2/h3-6H,1-2H3,(H2,11,15,18)(H2,12,16,19)/b13-6+,14-7-
InChIKeyBCLATGMTMSHNCH-JFCLYLFASA-N
XLogP0.16
TPSA85.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(furan-2-yl)-2-oxoethylidene]amino]-3-methylthiourea
CID 4539618
1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
CID 5423286
1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
CID 162740797
O-ethyl N-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)-2-phenylethylidene]amino]carbamothioate
CID 146412293
1-methyl-3-[(Z)-[(2E)-2-(methylcarbamothioylhydrazinylidene)-1-[5-[(3,3,5,5-tetramethylmorpholin-4-yl)methyl]furan-2-yl]ethylidene]amino]thiourea
CID 162740931
1-ethyl-3-[(Z)-[(2E)-2-(methylcarbamothioylhydrazinylidene)-1-pyridin-2-ylethylidene]amino]thiourea
CID 162740768
copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea
CID 87570295
1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea
CID 15682850
1-ethyl-3-[(E)-[(2E)-2-(ethylcarbamothioylhydrazinylidene)-1-pyridin-4-ylethylidene]amino]thiourea
CID 167361131
1-methyl-3-[(E)-[3-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6903322
1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
CID 6182895
3-[(E)-[(2E)-2-(dimethylcarbamothioylhydrazinylidene)-1-phenylethylidene]amino]-1,1-dimethylthiourea
CID 6399992

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea?
The IUPAC name of 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea (CID 167361148) is 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea.
What is the SMILES notation for 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea?
The canonical SMILES for 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea is CNC(=S)N/N=C(/C=N/NC(=S)NC)c1ccco1.
What is the InChIKey of 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea?
The InChIKey is BCLATGMTMSHNCH-JFCLYLFASA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-11-9(18)15-13-6-7(8-4-3-5-17-8)14-16-10(19)12-2/h3-6H,1-2H3,(H2,11,15,18)(H2,12,16,19)/b13-6+,14-7-.
What are the key properties of 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea?
1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea has a molecular weight of 298.40 g/mol, XLogP of 0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea is sourced from PubChem (CID 167361148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).