N-(4-methoxybutan-2-yl)thiadiazol-5-amine

C7H13N3OS — CID 107649334

IUPACN-(4-methoxybutan-2-yl)thiadiazol-5-amine
SMILESCOCCC(C)Nc1cnns1
InChIInChI=1S/C7H13N3OS/c1-6(3-4-11-2)9-7-5-8-10-12-7/h5-6,9H,3-4H2,1-2H3
InChIKeyBRMLYVOJLOKPBE-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.38
Rot. Bonds5

About N-(4-methoxybutan-2-yl)thiadiazol-5-amine

N-(4-methoxybutan-2-yl)thiadiazol-5-amine (PubChem CID 107649334) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)thiadiazol-5-amine
PubChem CID107649334
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC NameN-(4-methoxybutan-2-yl)thiadiazol-5-amine
SMILESCOCCC(C)Nc1cnns1
InChIInChI=1S/C7H13N3OS/c1-6(3-4-11-2)9-7-5-8-10-12-7/h5-6,9H,3-4H2,1-2H3
InChIKeyBRMLYVOJLOKPBE-UHFFFAOYSA-N
XLogP1.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenylbutan-2-yl)thiadiazol-5-amine
CID 107649389
4-methoxy-N,2-dimethyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105185176
N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 62732717
5-methoxy-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 103932146
5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 66342606
5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369462
2-methoxy-N-(thiadiazol-5-yl)acetamide
CID 102707085
N-(4-methoxybutan-2-yl)cinnolin-4-amine
CID 64605696
6-N-ethyl-2-N-(4-methoxybutan-2-yl)pyrazine-2,6-diamine
CID 78916118
3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534908
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152
N-[[4-(methoxymethyl)phenyl]methyl]thiadiazol-5-amine
CID 107234361

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)thiadiazol-5-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)thiadiazol-5-amine (CID 107649334) is N-(4-methoxybutan-2-yl)thiadiazol-5-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)thiadiazol-5-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)thiadiazol-5-amine is COCCC(C)Nc1cnns1.
What is the InChIKey of N-(4-methoxybutan-2-yl)thiadiazol-5-amine?
The InChIKey is BRMLYVOJLOKPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-6(3-4-11-2)9-7-5-8-10-12-7/h5-6,9H,3-4H2,1-2H3.
What are the key properties of N-(4-methoxybutan-2-yl)thiadiazol-5-amine?
N-(4-methoxybutan-2-yl)thiadiazol-5-amine has a molecular weight of 187.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)thiadiazol-5-amine is sourced from PubChem (CID 107649334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).