N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine

C16H29N3OS — CID 83101594

IUPACN-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H29N3OS/c1-12(2)17-8-13-10-20-7-6-19(13)9-15-18-14(11-21-15)16(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyJOZLFVPAICCCRR-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.64
Rot. Bonds5

About N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine

N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine (PubChem CID 83101594) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
PubChem CID83101594
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H29N3OS/c1-12(2)17-8-13-10-20-7-6-19(13)9-15-18-14(11-21-15)16(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyJOZLFVPAICCCRR-UHFFFAOYSA-N
XLogP2.64
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine (CID 83101594) is N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is JOZLFVPAICCCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-12(2)17-8-13-10-20-7-6-19(13)9-15-18-14(11-21-15)16(3,4)5/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine?
N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 311.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83101594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).