1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine

C14H21N3OS — CID 63841942

IUPAC1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
SMILESCCC(N)C(c1ccco1)N(C)Cc1scnc1C
InChIInChI=1S/C14H21N3OS/c1-4-11(15)14(12-6-5-7-18-12)17(3)8-13-10(2)16-9-19-13/h5-7,9,11,14H,4,8,15H2,1-3H3
InChIKeyLEWKMAJNXRDPBM-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.95
Rot. Bonds6

About 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine

1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine (PubChem CID 63841942) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
PubChem CID63841942
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
SMILESCCC(N)C(c1ccco1)N(C)Cc1scnc1C
InChIInChI=1S/C14H21N3OS/c1-4-11(15)14(12-6-5-7-18-12)17(3)8-13-10(2)16-9-19-13/h5-7,9,11,14H,4,8,15H2,1-3H3
InChIKeyLEWKMAJNXRDPBM-UHFFFAOYSA-N
XLogP2.95
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine with MolForge

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Related Compounds

1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 63843159
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine
CID 63842261
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
CID 63821064
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63725736
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63837959
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 71982540
(2S)-1-ethylsulfanyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 97160188
2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 63837536
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
CID 63843483

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine (CID 63841942) is 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine is CCC(N)C(c1ccco1)N(C)Cc1scnc1C.
What is the InChIKey of 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
The InChIKey is LEWKMAJNXRDPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-11(15)14(12-6-5-7-18-12)17(3)8-13-10(2)16-9-19-13/h5-7,9,11,14H,4,8,15H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine has a molecular weight of 279.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 63841942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).