4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide

C13H24N4OS — CID 66427402

IUPAC4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(C)Cc1scnc1C
InChIInChI=1S/C13H24N4OS/c1-4-5-15-13(18)6-11(7-14)17(3)8-12-10(2)16-9-19-12/h9,11H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyLBHDGQXRPXGMQS-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.13
Rot. Bonds8

About 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide

4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide (PubChem CID 66427402) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide
PubChem CID66427402
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(C)Cc1scnc1C
InChIInChI=1S/C13H24N4OS/c1-4-5-15-13(18)6-11(7-14)17(3)8-12-10(2)16-9-19-12/h9,11H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyLBHDGQXRPXGMQS-UHFFFAOYSA-N
XLogP1.13
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide
CID 63840300
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 81079726
4,4-dimethoxy-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 66268814
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 63837536
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63837959
2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009506
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethane-1,2-diamine
CID 63843483
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
2-(butan-2-ylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63836373

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide?
The IUPAC name of 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide (CID 66427402) is 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide?
The canonical SMILES for 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide is CCCNC(=O)CC(CN)N(C)Cc1scnc1C.
What is the InChIKey of 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide?
The InChIKey is LBHDGQXRPXGMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-5-15-13(18)6-11(7-14)17(3)8-12-10(2)16-9-19-12/h9,11H,4-8,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide?
4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide has a molecular weight of 284.43 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-N-propylbutanamide is sourced from PubChem (CID 66427402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).