4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine

C11H16N4OS — CID 79089739

IUPAC4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNn1cccc1
InChIInChI=1S/C11H16N4OS/c1-14(2)11-13-10(16-3)9(17-11)8-12-15-6-4-5-7-15/h4-7,12H,8H2,1-3H3
InChIKeySAAWNSJKWXJBQT-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.76
Rot. Bonds5

About 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine

4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 79089739) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID79089739
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNn1cccc1
InChIInChI=1S/C11H16N4OS/c1-14(2)11-13-10(16-3)9(17-11)8-12-15-6-4-5-7-15/h4-7,12H,8H2,1-3H3
InChIKeySAAWNSJKWXJBQT-UHFFFAOYSA-N
XLogP1.76
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine (CID 79089739) is 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNn1cccc1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is SAAWNSJKWXJBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-14(2)11-13-10(16-3)9(17-11)8-12-15-6-4-5-7-15/h4-7,12H,8H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 252.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[(pyrrol-1-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79089739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).