N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine

C10H17N3S — CID 115908300

IUPACN-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine
SMILESCCCC1(CNCc2csnn2)CC1
InChIInChI=1S/C10H17N3S/c1-2-3-10(4-5-10)8-11-6-9-7-14-13-12-9/h7,11H,2-6,8H2,1H3
InChIKeyXAZQFCRMLBYZHU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.21
Rot. Bonds6

About N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine

N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine (PubChem CID 115908300) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine
PubChem CID115908300
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine
SMILESCCCC1(CNCc2csnn2)CC1
InChIInChI=1S/C10H17N3S/c1-2-3-10(4-5-10)8-11-6-9-7-14-13-12-9/h7,11H,2-6,8H2,1H3
InChIKeyXAZQFCRMLBYZHU-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908125
1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 115907322
1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 103527503
3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799
N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
2-butoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 61169519
4-[[(1-propylcyclopropyl)methylamino]methyl]benzene-1,2,3-triol
CID 113357947
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649
N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 43663820
2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750165
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664030

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine (CID 115908300) is N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine is CCCC1(CNCc2csnn2)CC1.
What is the InChIKey of N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine?
The InChIKey is XAZQFCRMLBYZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-3-10(4-5-10)8-11-6-9-7-14-13-12-9/h7,11H,2-6,8H2,1H3.
What are the key properties of N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine?
N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine has a molecular weight of 211.33 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-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 115908300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).