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

C10H13N3OS — CID 64982537

IUPACN-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)Cc2ccco2)s1
InChIInChI=1S/C10H13N3OS/c1-7(6-9-4-3-5-14-9)11-10-13-12-8(2)15-10/h3-5,7H,6H2,1-2H3,(H,11,13)
InChIKeyVLNMNJZPCGGSIM-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.48
Rot. Bonds4

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

N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64982537) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64982537
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)Cc2ccco2)s1
InChIInChI=1S/C10H13N3OS/c1-7(6-9-4-3-5-14-9)11-10-13-12-8(2)15-10/h3-5,7H,6H2,1-2H3,(H,11,13)
InChIKeyVLNMNJZPCGGSIM-UHFFFAOYSA-N
XLogP2.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
CID 66278120
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
CID 79525693
N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624876
N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63084928
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 64540987
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
N-[1-(furan-2-yl)propan-2-yl]-5-methylpyridin-3-amine
CID 107584649
5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine
CID 106956954

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 64982537) is N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)Cc2ccco2)s1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VLNMNJZPCGGSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(6-9-4-3-5-14-9)11-10-13-12-8(2)15-10/h3-5,7H,6H2,1-2H3,(H,11,13).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 223.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).