N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

C16H20N2O2S — CID 50956140

IUPACN-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCN(Cc1ccco1)C(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C16H20N2O2S/c1-5-8-18(10-13-7-6-9-20-13)16(19)14-12(4)17-15(21-14)11(2)3/h5-7,9,11H,1,8,10H2,2-4H3
InChIKeyBSIPTXZFMNAWHU-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.00
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (PubChem CID 50956140) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
PubChem CID50956140
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCN(Cc1ccco1)C(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C16H20N2O2S/c1-5-8-18(10-13-7-6-9-20-13)16(19)14-12(4)17-15(21-14)11(2)3/h5-7,9,11H,1,8,10H2,2-4H3
InChIKeyBSIPTXZFMNAWHU-UHFFFAOYSA-N
XLogP4.00
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72873733
N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylacetamide
CID 50948449
N-(furan-2-ylmethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 48866039
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792584
N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 55669656
N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31834733
1-(furan-2-ylmethyl)-1-prop-2-enylthiourea
CID 172640364
3-[2-(furan-2-yl)ethyl]-1-methyl-1-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea
CID 75514120
4-chloro-N-(furan-2-ylmethyl)-2-(propanoylamino)-N-prop-2-enylbenzamide
CID 50963271
N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18109857
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-2-ylmethyl)-N-prop-2-enylacetamide
CID 50969436
2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 112808814

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (CID 50956140) is N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is C=CCN(Cc1ccco1)C(=O)c1sc(C(C)C)nc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The InChIKey is BSIPTXZFMNAWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-5-8-18(10-13-7-6-9-20-13)16(19)14-12(4)17-15(21-14)11(2)3/h5-7,9,11H,1,8,10H2,2-4H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50956140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).