N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C19H29N5OS — CID 167981538

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)C(NCc1c(C)nn(C)c1N1CCOCC1)CCC2
InChIInChI=1S/C19H29N5OS/c1-4-17-21-16-7-5-6-15(18(16)26-17)20-12-14-13(2)22-23(3)19(14)24-8-10-25-11-9-24/h15,20H,4-12H2,1-3H3
InChIKeyUTMOHTPIRRSYMO-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.75
Rot. Bonds5

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 167981538) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID167981538
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)C(NCc1c(C)nn(C)c1N1CCOCC1)CCC2
InChIInChI=1S/C19H29N5OS/c1-4-17-21-16-7-5-6-15(18(16)26-17)20-12-14-13(2)22-23(3)19(14)24-8-10-25-11-9-24/h15,20H,4-12H2,1-3H3
InChIKeyUTMOHTPIRRSYMO-UHFFFAOYSA-N
XLogP2.75
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 167981538) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCc1nc2c(s1)C(NCc1c(C)nn(C)c1N1CCOCC1)CCC2.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is UTMOHTPIRRSYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5OS/c1-4-17-21-16-7-5-6-15(18(16)26-17)20-12-14-13(2)22-23(3)19(14)24-8-10-25-11-9-24/h15,20H,4-12H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 375.54 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 167981538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).