5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

C14H25N5S — CID 80606715

IUPAC5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C14H25N5S/c1-2-5-15-14-17-16-13(20-14)11-19-8-6-18(7-9-19)10-12-3-4-12/h12H,2-11H2,1H3,(H,15,17)
InChIKeyQHERQBRBJLSXMC-UHFFFAOYSA-N
MW295.46 g/mol
LogP1.89
Rot. Bonds7

About 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606715) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80606715
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C14H25N5S/c1-2-5-15-14-17-16-13(20-14)11-19-8-6-18(7-9-19)10-12-3-4-12/h12H,2-11H2,1H3,(H,15,17)
InChIKeyQHERQBRBJLSXMC-UHFFFAOYSA-N
XLogP1.89
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80609041
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 102966690
methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate
CID 80608083
5-[[bis(cyclopropylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608516
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608418
1-methyl-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 80608371
ethyl 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 107877685
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80616318
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80609055
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine
CID 55046143
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606120

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80606715) is 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN2CCN(CC3CC3)CC2)s1.
What is the InChIKey of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QHERQBRBJLSXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-2-5-15-14-17-16-13(20-14)11-19-8-6-18(7-9-19)10-12-3-4-12/h12H,2-11H2,1H3,(H,15,17).
What are the key properties of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 295.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).