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

C16H29N3S — CID 79772633

IUPAC5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCCC(C(C)C)CC2)s1
InChIInChI=1S/C16H29N3S/c1-4-8-17-16-18-11-15(20-16)12-19-9-5-6-14(7-10-19)13(2)3/h11,13-14H,4-10,12H2,1-3H3,(H,17,18)
InChIKeyUXGXDBCQPWSVDW-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.22
Rot. Bonds6

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

5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79772633) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79772633
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCCC(C(C)C)CC2)s1
InChIInChI=1S/C16H29N3S/c1-4-8-17-16-18-11-15(20-16)12-19-9-5-6-14(7-10-19)13(2)3/h11,13-14H,4-10,12H2,1-3H3,(H,17,18)
InChIKeyUXGXDBCQPWSVDW-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol
CID 106837645
[5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764401
5-(1,4-oxazepan-4-ylmethyl)-N-propyl-1,3-thiazol-2-amine
CID 79771866
5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 102966743
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774545
N-[[5-[(4-propan-2-ylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556991
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774542
5-[(2,6-dimethylpiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771437
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771395
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine
CID 79761275
4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-1,4-diazepan-2-one
CID 79774066
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79772633) is 5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN2CCCC(C(C)C)CC2)s1.
What is the InChIKey of 5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is UXGXDBCQPWSVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-4-8-17-16-18-11-15(20-16)12-19-9-5-6-14(7-10-19)13(2)3/h11,13-14H,4-10,12H2,1-3H3,(H,17,18).
What are the key properties of 5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79772633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).