N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine

C13H18N2OS2 — CID 113372559

IUPACN-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1csc(SCc2ccc(CNC(C)C)o2)n1
InChIInChI=1S/C13H18N2OS2/c1-9(2)14-6-11-4-5-12(16-11)8-18-13-15-10(3)7-17-13/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyNTSZVJLYUPOXTH-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.83
Rot. Bonds6

About N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 113372559) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine
PubChem CID113372559
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC NameN-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1csc(SCc2ccc(CNC(C)C)o2)n1
InChIInChI=1S/C13H18N2OS2/c1-9(2)14-6-11-4-5-12(16-11)8-18-13-15-10(3)7-17-13/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyNTSZVJLYUPOXTH-UHFFFAOYSA-N
XLogP3.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 127008971
N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine
CID 102926320
N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 55238292
N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 63806520
methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate
CID 78766430
N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine
CID 107764107
N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
CID 63806368
N-(2-methylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27538951
2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 79764244
4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanoic acid
CID 55144551
5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 55212321
N,N-dimethyl-2-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methylsulfanyl]acetamide
CID 114235035

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine (CID 113372559) is N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine is Cc1csc(SCc2ccc(CNC(C)C)o2)n1.
What is the InChIKey of N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is NTSZVJLYUPOXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-9(2)14-6-11-4-5-12(16-11)8-18-13-15-10(3)7-17-13/h4-5,7,9,14H,6,8H2,1-3H3.
What are the key properties of N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 113372559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).