N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine

C15H29N3S — CID 43767177

IUPACN,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC(C)CCC(C)C)s1
InChIInChI=1S/C15H29N3S/c1-6-18(7-2)15-17-11-14(19-15)10-16-13(5)9-8-12(3)4/h11-13,16H,6-10H2,1-5H3
InChIKeyCKSSTOXWOCZGHS-UHFFFAOYSA-N
MW283.49 g/mol
LogP3.90
Rot. Bonds9

About N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43767177) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43767177
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC NameN,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC(C)CCC(C)C)s1
InChIInChI=1S/C15H29N3S/c1-6-18(7-2)15-17-11-14(19-15)10-16-13(5)9-8-12(3)4/h11-13,16H,6-10H2,1-5H3
InChIKeyCKSSTOXWOCZGHS-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 43767177) is N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNC(C)CCC(C)C)s1.
What is the InChIKey of N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is CKSSTOXWOCZGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-6-18(7-2)15-17-11-14(19-15)10-16-13(5)9-8-12(3)4/h11-13,16H,6-10H2,1-5H3.
What are the key properties of N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 283.49 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43767177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).