3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C14H25N5OS — CID 103379241

IUPAC3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC1CCN(C)CC1
InChIInChI=1S/C14H25N5OS/c1-9(2)17-13(20)11-12(15)18-21-14(11)16-8-10-4-6-19(3)7-5-10/h9-10,16H,4-8H2,1-3H3,(H2,15,18)(H,17,20)
InChIKeyYRDJTJKYCUUWSG-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.62
Rot. Bonds5

About 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103379241) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103379241
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC1CCN(C)CC1
InChIInChI=1S/C14H25N5OS/c1-9(2)17-13(20)11-12(15)18-21-14(11)16-8-10-4-6-19(3)7-5-10/h9-10,16H,4-8H2,1-3H3,(H2,15,18)(H,17,20)
InChIKeyYRDJTJKYCUUWSG-UHFFFAOYSA-N
XLogP1.62
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642
3-amino-5-(oxan-3-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378285
3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107421532
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103360229
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103379243
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103379241) is 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCC1CCN(C)CC1.
What is the InChIKey of 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is YRDJTJKYCUUWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-9(2)17-13(20)11-12(15)18-21-14(11)16-8-10-4-6-19(3)7-5-10/h9-10,16H,4-8H2,1-3H3,(H2,15,18)(H,17,20).
What are the key properties of 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 311.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).