N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine

C13H15N3S — CID 43534907

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(NC2CCSc3ccccc32)cn1
InChIInChI=1S/C13H15N3S/c1-16-9-10(8-14-16)15-12-6-7-17-13-5-3-2-4-11(12)13/h2-5,8-9,12,15H,6-7H2,1H3
InChIKeySRXAINLKLDUGPW-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.07
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine

N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine (PubChem CID 43534907) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
PubChem CID43534907
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(NC2CCSc3ccccc32)cn1
InChIInChI=1S/C13H15N3S/c1-16-9-10(8-14-16)15-12-6-7-17-13-5-3-2-4-11(12)13/h2-5,8-9,12,15H,6-7H2,1H3
InChIKeySRXAINLKLDUGPW-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616913
5-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-propylpyridin-2-one
CID 60942800
N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43107429
1-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376517
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62811074
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 51083571
1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine
CID 43635519
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113349402
tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate
CID 113354957
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
CID 83006635
N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63001794
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 104629142

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine (CID 43534907) is N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine is Cn1cc(NC2CCSc3ccccc32)cn1.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine?
The InChIKey is SRXAINLKLDUGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-16-9-10(8-14-16)15-12-6-7-17-13-5-3-2-4-11(12)13/h2-5,8-9,12,15H,6-7H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine?
N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine has a molecular weight of 245.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).