N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine

C7H13N3S — CID 131227008

IUPACN-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine
SMILESCCC(Cc1cnsn1)NC
InChIInChI=1S/C7H13N3S/c1-3-6(8-2)4-7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyNTRSKNSDNFNXFR-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.08
Rot. Bonds4

About N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine

N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine (PubChem CID 131227008) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine
PubChem CID131227008
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine
SMILESCCC(Cc1cnsn1)NC
InChIInChI=1S/C7H13N3S/c1-3-6(8-2)4-7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyNTRSKNSDNFNXFR-UHFFFAOYSA-N
XLogP1.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
N-methyl-1-(5-methyl-2-pyridinyl)butan-2-amine
CID 63201914
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-methyl-1-pyrimidin-2-ylbutan-2-amine
CID 63201821
2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine
CID 131227043
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methylbutan-2-amine
CID 63202104
3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
CID 105102816
3-(3-bromobutyl)-1,2,5-thiadiazole
CID 130856064
N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105163885
1-(3,6-dimethylpyrazin-2-yl)-N-methylbutan-2-amine
CID 63202106
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine?
The IUPAC name of N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine (CID 131227008) is N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine.
What is the SMILES notation for N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine?
The canonical SMILES for N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine is CCC(Cc1cnsn1)NC.
What is the InChIKey of N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine?
The InChIKey is NTRSKNSDNFNXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-6(8-2)4-7-5-9-11-10-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine?
N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,5-thiadiazol-3-yl)butan-2-amine is sourced from PubChem (CID 131227008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).