(E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium

C10H11N4S+ — CID 135749038

IUPAC(E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium
SMILESNC(=S)N/[NH+]=C/c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N4S/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/p+1/b13-6+
InChIKeyRZOVCYGQNDYSCH-AWNIVKPZSA-O
MW219.29 g/mol
LogP-0.58
Rot. Bonds2

About (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium

(E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium (PubChem CID 135749038) has the molecular formula C10H11N4S+ and a molecular weight of 219.29 g/mol. Its IUPAC name is (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium.

Molecular Properties

Compound Name(E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium
PubChem CID135749038
Molecular FormulaC10H11N4S+
Molecular Weight219.29 g/mol
Exact Mass219.07
IUPAC Name(E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium
SMILESNC(=S)N/[NH+]=C/c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N4S/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/p+1/b13-6+
InChIKeyRZOVCYGQNDYSCH-AWNIVKPZSA-O
XLogP-0.58
TPSA67.81 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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

(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
aminothiourea;2-(1H-indol-3-yl)acetic acid
CID 87278638
1H-indol-3-ylthiourea;hydroiodide
CID 173290305
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
3-(1H-indol-3-yl)propanethioamide
CID 3979253
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine
CID 136742284
3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
CID 174449864
1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
CID 136864979
1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine
CID 3913229
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride
CID 135915344
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417

Frequently Asked Questions

What is the IUPAC name of (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium?
The IUPAC name of (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium (CID 135749038) is (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium.
What is the SMILES notation for (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium?
The canonical SMILES for (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium is NC(=S)N/[NH+]=C/c1c[nH]c2ccccc12.
What is the InChIKey of (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium?
The InChIKey is RZOVCYGQNDYSCH-AWNIVKPZSA-O. The full InChI is InChI=1S/C10H10N4S/c11-10(15)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12H,(H3,11,14,15)/p+1/b13-6+.
What are the key properties of (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium?
(E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium has a molecular weight of 219.29 g/mol, XLogP of -0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium is sourced from PubChem (CID 135749038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).