N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

C15H19N3O2S — CID 61211656

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCn1ccnc1CCNC1CCS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H19N3O2S/c1-18-10-9-17-15(18)6-8-16-13-7-11-21(19,20)14-5-3-2-4-12(13)14/h2-5,9-10,13,16H,6-8,11H2,1H3
InChIKeyYYSQBBCEDZYVJD-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61211656) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61211656
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCn1ccnc1CCNC1CCS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H19N3O2S/c1-18-10-9-17-15(18)6-8-16-13-7-11-21(19,20)14-5-3-2-4-12(13)14/h2-5,9-10,13,16H,6-8,11H2,1H3
InChIKeyYYSQBBCEDZYVJD-UHFFFAOYSA-N
XLogP1.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 61215276
1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63242476
(4R)-1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 129369105
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 63923427
2,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81141012
N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841791
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
1,1-dioxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43755058
1-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682234
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43538900

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine (CID 61211656) is N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is Cn1ccnc1CCNC1CCS(=O)(=O)c2ccccc21.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is YYSQBBCEDZYVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18-10-9-17-15(18)6-8-16-13-7-11-21(19,20)14-5-3-2-4-12(13)14/h2-5,9-10,13,16H,6-8,11H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 305.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61211656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).