N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H20N2O2S — CID 97112669

IUPACN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C17H20N2O2S/c1-10(2)17-18-11(3)15(22-17)16(20)19-13-8-12-6-4-5-7-14(12)21-9-13/h4-7,10,13H,8-9H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyZMBSRIOSBKBDBN-ZDUSSCGKSA-N
MW316.43 g/mol
LogP3.31
Rot. Bonds3

About N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 97112669) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID97112669
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C17H20N2O2S/c1-10(2)17-18-11(3)15(22-17)16(20)19-13-8-12-6-4-5-7-14(12)21-9-13/h4-7,10,13H,8-9H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyZMBSRIOSBKBDBN-ZDUSSCGKSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
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-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70739420
N-(1-amino-2,3-dihydro-1H-inden-2-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 156604265
N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 86286458
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
CID 94066552
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)pyrazine-2-carboxamide
CID 102556079
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 97112669) is N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)N[C@@H]1COc2ccccc2C1.
What is the InChIKey of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZMBSRIOSBKBDBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-10(2)17-18-11(3)15(22-17)16(20)19-13-8-12-6-4-5-7-14(12)21-9-13/h4-7,10,13H,8-9H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97112669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).