N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

C16H23N3O2S — CID 86982381

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCC(C)(C)CN(C)C)cs2)o1
InChIInChI=1S/C16H23N3O2S/c1-11-6-7-13(21-11)15-18-12(8-22-15)14(20)17-9-16(2,3)10-19(4)5/h6-8H,9-10H2,1-5H3,(H,17,20)
InChIKeyXYHDLELVNRTUAL-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.03
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 86982381) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID86982381
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCC(C)(C)CN(C)C)cs2)o1
InChIInChI=1S/C16H23N3O2S/c1-11-6-7-13(21-11)15-18-12(8-22-15)14(20)17-9-16(2,3)10-19(4)5/h6-8H,9-10H2,1-5H3,(H,17,20)
InChIKeyXYHDLELVNRTUAL-UHFFFAOYSA-N
XLogP3.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119643826
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 111482189
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 39905459
N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 109388495
2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78870009
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206330
N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119568385
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 111481518

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (CID 86982381) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCC(C)(C)CN(C)C)cs2)o1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XYHDLELVNRTUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-6-7-13(21-11)15-18-12(8-22-15)14(20)17-9-16(2,3)10-19(4)5/h6-8H,9-10H2,1-5H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86982381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).