4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine

C10H15N5S — CID 131924986

IUPAC4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCn1cc(CNCc2csc(N)n2)cn1
InChIInChI=1S/C10H15N5S/c1-2-15-6-8(4-13-15)3-12-5-9-7-16-10(11)14-9/h4,6-7,12H,2-3,5H2,1H3,(H2,11,14)
InChIKeyHMPDTCGXPOMXAJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.23
Rot. Bonds5

About 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine

4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 131924986) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID131924986
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCn1cc(CNCc2csc(N)n2)cn1
InChIInChI=1S/C10H15N5S/c1-2-15-6-8(4-13-15)3-12-5-9-7-16-10(11)14-9/h4,6-7,12H,2-3,5H2,1H3,(H2,11,14)
InChIKeyHMPDTCGXPOMXAJ-UHFFFAOYSA-N
XLogP1.23
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 97178740
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966967
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 63966878
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62125827
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096833

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine (CID 131924986) is 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine is CCn1cc(CNCc2csc(N)n2)cn1.
What is the InChIKey of 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is HMPDTCGXPOMXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-2-15-6-8(4-13-15)3-12-5-9-7-16-10(11)14-9/h4,6-7,12H,2-3,5H2,1H3,(H2,11,14).
What are the key properties of 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine?
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 131924986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).