N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide

C17H18N2OS3 — CID 112766235

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)C1CSCCS1
InChIInChI=1S/C17H18N2OS3/c20-16(15-10-21-6-7-22-15)19-17-18-14(9-23-17)13-5-4-11-2-1-3-12(11)8-13/h4-5,8-9,15H,1-3,6-7,10H2,(H,18,19,20)
InChIKeySTTXDPSFTZZIRM-UHFFFAOYSA-N
MW362.55 g/mol
LogP4.09
Rot. Bonds3

About N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide (PubChem CID 112766235) has the molecular formula C17H18N2OS3 and a molecular weight of 362.55 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
PubChem CID112766235
Molecular FormulaC17H18N2OS3
Molecular Weight362.55 g/mol
Exact Mass362.06
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)C1CSCCS1
InChIInChI=1S/C17H18N2OS3/c20-16(15-10-21-6-7-22-15)19-17-18-14(9-23-17)13-5-4-11-2-1-3-12(11)8-13/h4-5,8-9,15H,1-3,6-7,10H2,(H,18,19,20)
InChIKeySTTXDPSFTZZIRM-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
CID 112765234
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
(1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 8780774
(2S)-1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 27376259
(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 167990270
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24591118
1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 43049397
phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 19227173
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119687104
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 24569835

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide (CID 112766235) is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)C1CSCCS1.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
The InChIKey is STTXDPSFTZZIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS3/c20-16(15-10-21-6-7-22-15)19-17-18-14(9-23-17)13-5-4-11-2-1-3-12(11)8-13/h4-5,8-9,15H,1-3,6-7,10H2,(H,18,19,20).
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide?
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide has a molecular weight of 362.55 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 112766235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).