6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

C15H18ClN3S — CID 43791978

IUPAC6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(Cn1ccnc1)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H18ClN3S/c1-11(9-19-6-5-17-10-19)18-14-4-7-20-15-3-2-12(16)8-13(14)15/h2-3,5-6,8,10-11,14,18H,4,7,9H2,1H3
InChIKeyQOXVMZKMRVFUHP-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.75
Rot. Bonds4

About 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43791978) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43791978
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(Cn1ccnc1)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H18ClN3S/c1-11(9-19-6-5-17-10-19)18-14-4-7-20-15-3-2-12(16)8-13(14)15/h2-3,5-6,8,10-11,14,18H,4,7,9H2,1H3
InChIKeyQOXVMZKMRVFUHP-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
CID 97230812
6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43723344
6-chloro-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 113457741
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
6-chloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43786670
6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 116534400
2-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690014
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-propan-2-ylpropanamide
CID 115575495
6-chloro-N-pent-1-yn-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 114160681
6-chloro-N-[1-(2-methylphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43723345

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43791978) is 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is CC(Cn1ccnc1)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is QOXVMZKMRVFUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-11(9-19-6-5-17-10-19)18-14-4-7-20-15-3-2-12(16)8-13(14)15/h2-3,5-6,8,10-11,14,18H,4,7,9H2,1H3.
What are the key properties of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 307.85 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43791978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).