N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide

C17H20N2O2S — CID 166629353

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C17H20N2O2S/c1-17(2,3)14-10-22-16(18-14)19-15(20)12-6-7-13-11(9-12)5-4-8-21-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyQRBJOGNNYWMREP-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.02
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 166629353) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID166629353
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C17H20N2O2S/c1-17(2,3)14-10-22-16(18-14)19-15(20)12-6-7-13-11(9-12)5-4-8-21-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyQRBJOGNNYWMREP-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2168034
Methyl 2-(4-ethoxybenzamido)-4-methylthiazole-5-carboxylate
CID 1877175
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172
Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
4-{N-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenyl acetate
CID 2992172
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
N-(4-propan-2-yl-1,3-thiazol-2-yl)-9H-xanthene-9-carboxamide
CID 127046038
4-methoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 746912
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 3581200

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide (CID 166629353) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide is CC(C)(C)c1csc(NC(=O)c2ccc3c(c2)CCCO3)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is QRBJOGNNYWMREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-17(2,3)14-10-22-16(18-14)19-15(20)12-6-7-13-11(9-12)5-4-8-21-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 166629353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).