N-(thiadiazol-4-ylmethyl)hexan-2-amine

C9H17N3S — CID 62200952

IUPACN-(thiadiazol-4-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCc1csnn1
InChIInChI=1S/C9H17N3S/c1-3-4-5-8(2)10-6-9-7-13-12-11-9/h7-8,10H,3-6H2,1-2H3
InChIKeySQTQAKBLQZVETH-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.21
Rot. Bonds6

About N-(thiadiazol-4-ylmethyl)hexan-2-amine

N-(thiadiazol-4-ylmethyl)hexan-2-amine (PubChem CID 62200952) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)hexan-2-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)hexan-2-amine
PubChem CID62200952
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-(thiadiazol-4-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCc1csnn1
InChIInChI=1S/C9H17N3S/c1-3-4-5-8(2)10-6-9-7-13-12-11-9/h7-8,10H,3-6H2,1-2H3
InChIKeySQTQAKBLQZVETH-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 43663820
(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 93257833
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931
4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine
CID 115905222
4-butylthiadiazole
CID 19903308
(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 103924393
2-methyl-3-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 115907695
N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine
CID 62847900
(1S)-1-(2-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81375259
N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 62700861
(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81401864
N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide
CID 61464284

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)hexan-2-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)hexan-2-amine (CID 62200952) is N-(thiadiazol-4-ylmethyl)hexan-2-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)hexan-2-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)hexan-2-amine is CCCCC(C)NCc1csnn1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)hexan-2-amine?
The InChIKey is SQTQAKBLQZVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-4-5-8(2)10-6-9-7-13-12-11-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-(thiadiazol-4-ylmethyl)hexan-2-amine?
N-(thiadiazol-4-ylmethyl)hexan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)hexan-2-amine is sourced from PubChem (CID 62200952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).