N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C17H31N3S — CID 78944233

IUPACN-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(CCC(C)C)C2CC2)sc1CNCC(C)C
InChIInChI=1S/C17H31N3S/c1-12(2)8-9-20(15-6-7-15)17-19-14(5)16(21-17)11-18-10-13(3)4/h12-13,15,18H,6-11H2,1-5H3
InChIKeyXAMSYKNMBONNSY-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.21
Rot. Bonds9

About N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 78944233) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID78944233
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(CCC(C)C)C2CC2)sc1CNCC(C)C
InChIInChI=1S/C17H31N3S/c1-12(2)8-9-20(15-6-7-15)17-19-14(5)16(21-17)11-18-10-13(3)4/h12-13,15,18H,6-11H2,1-5H3
InChIKeyXAMSYKNMBONNSY-UHFFFAOYSA-N
XLogP4.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 78944233) is N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is Cc1nc(N(CCC(C)C)C2CC2)sc1CNCC(C)C.
What is the InChIKey of N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XAMSYKNMBONNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-12(2)8-9-20(15-6-7-15)17-19-14(5)16(21-17)11-18-10-13(3)4/h12-13,15,18H,6-11H2,1-5H3.
What are the key properties of N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-(3-methylbutyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 78944233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).