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

C11H16N4S — CID 104599634

IUPAC5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2cnn(C(C)C)c2)s1
InChIInChI=1S/C11H16N4S/c1-8(2)15-7-10(6-14-15)5-13-11-12-4-9(3)16-11/h4,6-8H,5H2,1-3H3,(H,12,13)
InChIKeyUGRWBCQUOATCOS-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.84
Rot. Bonds4

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

5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 104599634) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID104599634
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2cnn(C(C)C)c2)s1
InChIInChI=1S/C11H16N4S/c1-8(2)15-7-10(6-14-15)5-13-11-12-4-9(3)16-11/h4,6-8H,5H2,1-3H3,(H,12,13)
InChIKeyUGRWBCQUOATCOS-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103700717
1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72890978
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 72872121
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103824003
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 104599634) is 5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is Cc1cnc(NCc2cnn(C(C)C)c2)s1.
What is the InChIKey of 5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is UGRWBCQUOATCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(2)15-7-10(6-14-15)5-13-11-12-4-9(3)16-11/h4,6-8H,5H2,1-3H3,(H,12,13).
What are the key properties of 5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 104599634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).