N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H15N5S — CID 82872726

IUPACN-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2ccn(C)n2)n1
InChIInChI=1S/C10H15N5S/c1-7(2)9-12-10(16-14-9)11-6-8-4-5-15(3)13-8/h4-5,7H,6H2,1-3H3,(H,11,12,14)
InChIKeyZWHUHXPNNBNQJW-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.01
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 82872726) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID82872726
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2ccn(C)n2)n1
InChIInChI=1S/C10H15N5S/c1-7(2)9-12-10(16-14-9)11-6-8-4-5-15(3)13-8/h4-5,7H,6H2,1-3H3,(H,11,12,14)
InChIKeyZWHUHXPNNBNQJW-UHFFFAOYSA-N
XLogP2.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 82873932
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 82873661
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277068
5-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924669
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103908134
4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 82874162
1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166550

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 82872726) is N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCc2ccn(C)n2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZWHUHXPNNBNQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7(2)9-12-10(16-14-9)11-6-8-4-5-15(3)13-8/h4-5,7H,6H2,1-3H3,(H,11,12,14).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 237.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 82872726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).