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

C19H21N3O2S — CID 50984662

IUPACN-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C19H21N3O2S/c1-13(2)18-21-14(3)17(25-18)19(23)22(12-16-8-6-10-24-16)11-15-7-4-5-9-20-15/h4-10,13H,11-12H2,1-3H3
InChIKeyYBPIMKUCDHPADC-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.41
Rot. Bonds6

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

N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 50984662) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID50984662
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C19H21N3O2S/c1-13(2)18-21-14(3)17(25-18)19(23)22(12-16-8-6-10-24-16)11-15-7-4-5-9-20-15/h4-10,13H,11-12H2,1-3H3
InChIKeyYBPIMKUCDHPADC-UHFFFAOYSA-N
XLogP4.41
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1243722
5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310757
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2998762
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}furan-2-carboxamide
CID 5310118
15-(Furan-3-yl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44291331
(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 134142060
2-(Phenoxymethyl)-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247348
N-(4-chlorophenyl)-1-(2-(furan-2-yl)thiazole-5-carbonyl)piperidine-3-carboxamide
CID 121317946
{[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}(propan-2-yl)[(pyridin-2-yl)methyl]amine
CID 45913503
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 645052

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 50984662) is N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YBPIMKUCDHPADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13(2)18-21-14(3)17(25-18)19(23)22(12-16-8-6-10-24-16)11-15-7-4-5-9-20-15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50984662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).