N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine

C9H15N3S — CID 65209401

IUPACN-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1snnc1C1CC1
InChIInChI=1S/C9H15N3S/c1-6(2)10-5-8-9(7-3-4-7)11-12-13-8/h6-7,10H,3-5H2,1-2H3
InChIKeyVPAIFRFZZPLZJF-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.91
Rot. Bonds4

About N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine

N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine (PubChem CID 65209401) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine
PubChem CID65209401
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1snnc1C1CC1
InChIInChI=1S/C9H15N3S/c1-6(2)10-5-8-9(7-3-4-7)11-12-13-8/h6-7,10H,3-5H2,1-2H3
InChIKeyVPAIFRFZZPLZJF-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R*,4S*)-4-cyclopropyl-1-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-3-pyrrolidinamine
CID 72921116
2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204268
2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 65205258
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156289
N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156295
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-ethyl-4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156358
4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156395
4,4,4-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156400
4,4,4-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156401
4,4,4-trifluoro-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105156416
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine (CID 65209401) is N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1snnc1C1CC1.
What is the InChIKey of N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is VPAIFRFZZPLZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)10-5-8-9(7-3-4-7)11-12-13-8/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine?
N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 65209401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).