3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide

C12H21N5O2S — CID 103383950

IUPAC3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C12H21N5O2S/c1-6(2)5-15-10(18)7(3)16-12-8(11(19)14-4)9(13)17-20-12/h6-7,16H,5H2,1-4H3,(H2,13,17)(H,14,19)(H,15,18)
InChIKeyNGVCBUNXQCKFAP-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.66
Rot. Bonds6

About 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 103383950) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide
PubChem CID103383950
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C12H21N5O2S/c1-6(2)5-15-10(18)7(3)16-12-8(11(19)14-4)9(13)17-20-12/h6-7,16H,5H2,1-4H3,(H2,13,17)(H,14,19)(H,15,18)
InChIKeyNGVCBUNXQCKFAP-UHFFFAOYSA-N
XLogP0.66
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide (CID 103383950) is 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NC(C)C(=O)NCC(C)C.
What is the InChIKey of 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is NGVCBUNXQCKFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-6(2)5-15-10(18)7(3)16-12-8(11(19)14-4)9(13)17-20-12/h6-7,16H,5H2,1-4H3,(H2,13,17)(H,14,19)(H,15,18).
What are the key properties of 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).