2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol

C18H22N4S3 — CID 143660890

IUPAC2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol
SMILESCNc1cc(C)cc2cc(C3=NCC(CN)S3)[nH]c12.Sc1cccs1
InChIInChI=1S/C14H18N4S.C4H4S2/c1-8-3-9-5-12(14-17-7-10(6-15)19-14)18-13(9)11(4-8)16-2;5-4-2-1-3-6-4/h3-5,10,16,18H,6-7,15H2,1-2H3;1-3,5H
InChIKeyGWIZRGBAOONCPE-UHFFFAOYSA-N
MW390.60 g/mol
LogP4.38
Rot. Bonds3

About 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol

2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol (PubChem CID 143660890) has the molecular formula C18H22N4S3 and a molecular weight of 390.60 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol
PubChem CID143660890
Molecular FormulaC18H22N4S3
Molecular Weight390.60 g/mol
Exact Mass390.10
IUPAC Name2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol
SMILESCNc1cc(C)cc2cc(C3=NCC(CN)S3)[nH]c12.Sc1cccs1
InChIInChI=1S/C14H18N4S.C4H4S2/c1-8-3-9-5-12(14-17-7-10(6-15)19-14)18-13(9)11(4-8)16-2;5-4-2-1-3-6-4/h3-5,10,16,18H,6-7,15H2,1-2H3;1-3,5H
InChIKeyGWIZRGBAOONCPE-UHFFFAOYSA-N
XLogP4.38
TPSA66.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,5-dimethyl-2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-amine;morpholine;thiophene-2-thiol
CID 143660872
2-[2-[7-amino-5-(2-hydroxyethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;methane;thiophene-2-thiol;dihydrate
CID 159024636
2-[2-[7-amino-5-(2-methoxyethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide;methane;thiophene-2-thiol;dihydrate
CID 158565410
2-[2-[7-amino-5-(2-hydroxyethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid;methane;thiophene-2-thiol;dihydrate
CID 158586168
2-[2-[7-amino-5-(2-hydroxyethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide;methane;thiophene-2-thiol;dihydrate
CID 160964993
N-methyl-2-[5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
CID 67766172
5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
CID 143661029
ethyl 2-[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 57476282
N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135769
2-[2-[7-[(3-ethylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
CID 67487385
N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 57476293
N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 89040216

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol?
The IUPAC name of 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol (CID 143660890) is 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol.
What is the SMILES notation for 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol?
The canonical SMILES for 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol is CNc1cc(C)cc2cc(C3=NCC(CN)S3)[nH]c12.Sc1cccs1.
What is the InChIKey of 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol?
The InChIKey is GWIZRGBAOONCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S.C4H4S2/c1-8-3-9-5-12(14-17-7-10(6-15)19-14)18-13(9)11(4-8)16-2;5-4-2-1-3-6-4/h3-5,10,16,18H,6-7,15H2,1-2H3;1-3,5H.
What are the key properties of 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol?
2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol has a molecular weight of 390.60 g/mol, XLogP of 4.38, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N,5-dimethyl-1H-indol-7-amine;thiophene-2-thiol is sourced from PubChem (CID 143660890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).