N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

C14H14ClNS2 — CID 43231634

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESClc1ccc(CNC2CCSc3ccccc32)s1
InChIInChI=1S/C14H14ClNS2/c15-14-6-5-10(18-14)9-16-12-7-8-17-13-4-2-1-3-11(12)13/h1-6,12,16H,7-9H2
InChIKeyINQCWTCGYUOAKP-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.73
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43231634) has the molecular formula C14H14ClNS2 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43231634
Molecular FormulaC14H14ClNS2
Molecular Weight295.86 g/mol
Exact Mass295.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESClc1ccc(CNC2CCSc3ccccc32)s1
InChIInChI=1S/C14H14ClNS2/c15-14-6-5-10(18-14)9-16-12-7-8-17-13-4-2-1-3-11(12)13/h1-6,12,16H,7-9H2
InChIKeyINQCWTCGYUOAKP-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
N-[(2-aminophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 66417077
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 60777086
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]benzene-1,2-diol
CID 61317675
N-[(2,3-dimethylphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 60657819
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 62741615
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113349402
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 112773603
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63001794

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 43231634) is N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is Clc1ccc(CNC2CCSc3ccccc32)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is INQCWTCGYUOAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS2/c15-14-6-5-10(18-14)9-16-12-7-8-17-13-4-2-1-3-11(12)13/h1-6,12,16H,7-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 295.86 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43231634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).