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

C14H15N3OS2 — CID 82435110

IUPAC4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(-c3ccco3)nc2C(C)C)cs1
InChIInChI=1S/C14H15N3OS2/c1-8(2)11-12(9-7-19-14(15-3)16-9)20-13(17-11)10-5-4-6-18-10/h4-8H,1-3H3,(H,15,16)
InChIKeyJYWXWGYTPOJIGV-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.69
Rot. Bonds4

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

4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 82435110) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID82435110
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(-c3ccco3)nc2C(C)C)cs1
InChIInChI=1S/C14H15N3OS2/c1-8(2)11-12(9-7-19-14(15-3)16-9)20-13(17-11)10-5-4-6-18-10/h4-8H,1-3H3,(H,15,16)
InChIKeyJYWXWGYTPOJIGV-UHFFFAOYSA-N
XLogP4.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82434613
N-ethyl-4-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433569
2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82435103
1-[2-(furan-2-yl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64718148
N-ethyl-4-(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433869
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
5-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427306
5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole
CID 82130320
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]aniline
CID 55103450
2-(furan-2-yl)-4-(1-methylpyrrol-2-yl)-1,3-thiazole
CID 32501072
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36799563

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine (CID 82435110) is 4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2sc(-c3ccco3)nc2C(C)C)cs1.
What is the InChIKey of 4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is JYWXWGYTPOJIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-8(2)11-12(9-7-19-14(15-3)16-9)20-13(17-11)10-5-4-6-18-10/h4-8H,1-3H3,(H,15,16).
What are the key properties of 4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 305.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82435110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).