2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide

C15H20N2O3S — CID 39905459

IUPAC2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCCCOC(C)C)cs2)o1
InChIInChI=1S/C15H20N2O3S/c1-10(2)19-8-4-7-16-14(18)12-9-21-15(17-12)13-6-5-11(3)20-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyZZFQZPKKIWRUKR-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.26
Rot. Bonds7

About 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide

2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 39905459) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID39905459
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCCCOC(C)C)cs2)o1
InChIInChI=1S/C15H20N2O3S/c1-10(2)19-8-4-7-16-14(18)12-9-21-15(17-12)13-6-5-11(3)20-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyZZFQZPKKIWRUKR-UHFFFAOYSA-N
XLogP3.26
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-(2-amino-2-ethylbutyl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119643826
2-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 66388359
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 86982381
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
N-(1-hydroxypropan-2-yl)-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 109388495
3-methoxybutyl 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 71869290
2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198555
2-(5-methylfuran-2-yl)-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 51658661
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide (CID 39905459) is 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCCCOC(C)C)cs2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZZFQZPKKIWRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)19-8-4-7-16-14(18)12-9-21-15(17-12)13-6-5-11(3)20-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39905459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).