N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H21N3OS — CID 156604265

IUPACN-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1Cc2ccccc2C1N
InChIInChI=1S/C17H21N3OS/c1-9(2)17-19-10(3)15(22-17)16(21)20-13-8-11-6-4-5-7-12(11)14(13)18/h4-7,9,13-14H,8,18H2,1-3H3,(H,20,21)
InChIKeyKQHNHWPHQKTFQG-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.93
Rot. Bonds3

About N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 156604265) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID156604265
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1Cc2ccccc2C1N
InChIInChI=1S/C17H21N3OS/c1-9(2)17-19-10(3)15(22-17)16(21)20-13-8-11-6-4-5-7-12(11)14(13)18/h4-7,9,13-14H,8,18H2,1-3H3,(H,20,21)
InChIKeyKQHNHWPHQKTFQG-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97112668
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97112669
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74244390
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 138011377
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 91839977
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58717470
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
(1R)-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 97268180
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138027230

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 156604265) is N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NC1Cc2ccccc2C1N.
What is the InChIKey of N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KQHNHWPHQKTFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-9(2)17-19-10(3)15(22-17)16(21)20-13-8-11-6-4-5-7-12(11)14(13)18/h4-7,9,13-14H,8,18H2,1-3H3,(H,20,21).
What are the key properties of N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156604265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).