tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate

C19H23N3O2S — CID 113354957

IUPACtert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CCSc3ccccc32)cn1
InChIInChI=1S/C19H23N3O2S/c1-19(2,3)24-18(23)22-17-9-8-13(12-20-17)21-15-10-11-25-16-7-5-4-6-14(15)16/h4-9,12,15,21H,10-11H2,1-3H3,(H,20,22,23)
InChIKeyHBPDOGORPPKHSH-UHFFFAOYSA-N
MW357.48 g/mol
LogP5.08
Rot. Bonds3

About tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate

tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate (PubChem CID 113354957) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate
PubChem CID113354957
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Nametert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CCSc3ccccc32)cn1
InChIInChI=1S/C19H23N3O2S/c1-19(2,3)24-18(23)22-17-9-8-13(12-20-17)21-15-10-11-25-16-7-5-4-6-14(15)16/h4-9,12,15,21H,10-11H2,1-3H3,(H,20,22,23)
InChIKeyHBPDOGORPPKHSH-UHFFFAOYSA-N
XLogP5.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243179
tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
CID 114238920
tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate
CID 103933766
tert-butyl N-[5-(piperidin-3-ylmethylamino)-2-pyridinyl]carbamate
CID 107243062
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
CID 43534907
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate (CID 113354957) is tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC2CCSc3ccccc32)cn1.
What is the InChIKey of tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate?
The InChIKey is HBPDOGORPPKHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-19(2,3)24-18(23)22-17-9-8-13(12-20-17)21-15-10-11-25-16-7-5-4-6-14(15)16/h4-9,12,15,21H,10-11H2,1-3H3,(H,20,22,23).
What are the key properties of tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate?
tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate has a molecular weight of 357.48 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113354957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).